USER MOD reduce.3.24.130724 H: found=0, std=0, add=1370, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1371 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 134 MET CE :methyl -147:sc= -0.204 (180deg=-0.452) USER MOD Set 1.2: A 188 HIS : no HD1:sc= -0.216 K(o=-0.42,f=-1.1) USER MOD Set 2.1: A 109 THR OG1 : rot 81:sc= -1.18 USER MOD Set 2.2: A 176 HIS : no HD1:sc= -7.62! C(o=-8.8!,f=-17!) USER MOD Set 3.1: A 106 LYS NZ :NH3+ -145:sc= 1.79 (180deg=0.0969) USER MOD Set 3.2: A 114 THR OG1 : rot 67:sc= 0.976 USER MOD Set 4.1: A 29 CYS SG : rot 180:sc= 1.09 USER MOD Set 4.2: A 81 TYR OH : rot -7:sc= 1.33 USER MOD Single : A 5 SER OG : rot 41:sc= 0.264 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.063 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -166:sc= -3.14! (180deg=-3.32!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -40:sc= -1.48! USER MOD Single : A 24 MET CE :methyl -128:sc= -0.0711 (180deg=-2.27) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 172:sc= -4.75 (180deg=-5.19) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -169:sc=-0.00257 (180deg=-0.129) USER MOD Single : A 58 LYS NZ :NH3+ -128:sc= 1.28 (180deg=-0.0383) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 0.227 (180deg=-1.42!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 164:sc= -0.139 (180deg=-0.611) USER MOD Single : A 75 ASN : amide:sc= -4.85! C(o=-4.8!,f=-1.7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 144:sc= -2.17 (180deg=-5.2!) USER MOD Single : A 83 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.432) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.879 K(o=-0.88,f=-4.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 176:sc= -2.97 (180deg=-3.09) USER MOD Single : A 96 THR OG1 : rot 106:sc= 1.04 USER MOD Single : A 98 LYS NZ :NH3+ 146:sc= -1.98! (180deg=-3.73!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 101 MET CE :methyl -177:sc= -6.45! (180deg=-6.65!) USER MOD Single : A 105 SER OG : rot 150:sc= 0.0771 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0626 USER MOD Single : A 111 MET CE :methyl -165:sc= -7.92! (180deg=-8.16!) USER MOD Single : A 113 MET CE :methyl 148:sc= -0.312 (180deg=-1.09) USER MOD Single : A 116 CYS SG : rot -143:sc= -4.49! USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.268 K(o=0.27,f=-1.1) USER MOD Single : A 124 HIS : no HD1:sc= -0.335 X(o=-0.34,f=-0.024) USER MOD Single : A 127 TYR OH : rot 150:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= -1.48 USER MOD Single : A 137 LYS NZ :NH3+ 168:sc= -0.0134 (180deg=-0.16) USER MOD Single : A 138 LYS NZ :NH3+ -168:sc=-0.00568 (180deg=-0.136) USER MOD Single : A 172 ASN : amide:sc= -3.16! K(o=-3.2!,f=-1.2) USER MOD Single : A 179 THR OG1 : rot 180:sc= 0 USER MOD Single : A 183 GLN : amide:sc= -5.14! C(o=-5.1!,f=-5.3!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 164:sc= -0.0556 (180deg=-0.362) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 -29.204 1.838 6.668 1.00 1.00 N ATOM 107 CA VAL A 2 -27.867 2.208 7.090 1.00 0.98 C ATOM 108 C VAL A 2 -26.862 1.291 6.427 1.00 0.79 C ATOM 109 O VAL A 2 -26.379 0.341 7.024 1.00 0.92 O ATOM 110 CB VAL A 2 -27.684 2.196 8.629 1.00 1.21 C ATOM 111 CG1 VAL A 2 -28.020 3.559 9.213 1.00 1.56 C ATOM 112 CG2 VAL A 2 -28.550 1.132 9.281 1.00 1.32 C ATOM 0 HA VAL A 2 -27.701 3.239 6.777 1.00 0.98 H new ATOM 0 HB VAL A 2 -26.640 1.962 8.835 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -27.887 3.534 10.295 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -27.360 4.312 8.783 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -29.055 3.809 8.981 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -28.398 1.150 10.360 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -29.599 1.330 9.059 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -28.276 0.151 8.892 1.00 1.32 H new ATOM 122 N ALA A 3 -26.607 1.561 5.158 1.00 0.66 N ATOM 123 CA ALA A 3 -25.609 0.838 4.394 1.00 0.55 C ATOM 124 C ALA A 3 -24.727 1.823 3.670 1.00 0.60 C ATOM 125 O ALA A 3 -25.074 2.304 2.591 1.00 1.10 O ATOM 126 CB ALA A 3 -26.243 -0.111 3.399 1.00 0.63 C ATOM 0 H ALA A 3 -27.088 2.289 4.629 1.00 0.66 H new ATOM 0 HA ALA A 3 -25.016 0.241 5.087 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -25.462 -0.634 2.846 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -26.859 -0.836 3.930 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -26.864 0.453 2.703 1.00 0.63 H new ATOM 132 N LEU A 4 -23.638 2.175 4.326 1.00 0.45 N ATOM 133 CA LEU A 4 -22.639 3.105 3.811 1.00 0.41 C ATOM 134 C LEU A 4 -22.495 3.086 2.295 1.00 0.39 C ATOM 135 O LEU A 4 -22.209 2.055 1.686 1.00 0.38 O ATOM 136 CB LEU A 4 -21.296 2.818 4.478 1.00 0.41 C ATOM 137 CG LEU A 4 -21.096 3.465 5.856 1.00 0.56 C ATOM 138 CD1 LEU A 4 -22.311 3.292 6.755 1.00 1.16 C ATOM 139 CD2 LEU A 4 -19.872 2.888 6.530 1.00 1.46 C ATOM 0 H LEU A 4 -23.414 1.816 5.254 1.00 0.45 H new ATOM 0 HA LEU A 4 -22.986 4.109 4.057 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.184 1.739 4.582 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -20.500 3.159 3.816 1.00 0.41 H new ATOM 0 HG LEU A 4 -20.957 4.534 5.694 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -22.122 3.766 7.718 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -23.179 3.756 6.287 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -22.504 2.230 6.905 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -19.740 3.354 7.506 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -19.999 1.813 6.656 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -18.993 3.080 5.915 1.00 1.46 H new ATOM 151 N SER A 5 -22.669 4.262 1.715 1.00 0.41 N ATOM 152 CA SER A 5 -22.565 4.445 0.286 1.00 0.42 C ATOM 153 C SER A 5 -21.159 4.931 -0.028 1.00 0.37 C ATOM 154 O SER A 5 -20.814 6.092 0.212 1.00 0.42 O ATOM 155 CB SER A 5 -23.629 5.433 -0.201 1.00 0.51 C ATOM 156 OG SER A 5 -23.449 6.716 0.369 1.00 1.28 O ATOM 0 H SER A 5 -22.887 5.116 2.228 1.00 0.41 H new ATOM 0 HA SER A 5 -22.742 3.504 -0.236 1.00 0.42 H new ATOM 0 HB2 SER A 5 -23.587 5.508 -1.288 1.00 0.51 H new ATOM 0 HB3 SER A 5 -24.620 5.057 0.054 1.00 0.51 H new ATOM 0 HG SER A 5 -22.494 6.935 0.386 1.00 1.28 H new ATOM 162 N LEU A 6 -20.331 4.029 -0.508 1.00 0.31 N ATOM 163 CA LEU A 6 -18.920 4.307 -0.637 1.00 0.28 C ATOM 164 C LEU A 6 -18.517 4.401 -2.098 1.00 0.28 C ATOM 165 O LEU A 6 -18.923 3.580 -2.924 1.00 0.31 O ATOM 166 CB LEU A 6 -18.109 3.218 0.076 1.00 0.26 C ATOM 167 CG LEU A 6 -18.583 2.889 1.497 1.00 0.33 C ATOM 168 CD1 LEU A 6 -17.684 1.848 2.140 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.636 4.144 2.350 1.00 0.62 C ATOM 0 H LEU A 6 -20.612 3.098 -0.815 1.00 0.31 H new ATOM 0 HA LEU A 6 -18.711 5.269 -0.170 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.144 2.308 -0.523 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -17.066 3.531 0.120 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.589 2.476 1.429 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -18.041 1.631 3.147 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -17.701 0.935 1.545 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -16.664 2.229 2.190 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -18.975 3.888 3.354 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -17.642 4.589 2.405 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.329 4.858 1.905 1.00 0.62 H new ATOM 181 N LYS A 7 -17.737 5.417 -2.412 1.00 0.29 N ATOM 182 CA LYS A 7 -17.191 5.566 -3.747 1.00 0.31 C ATOM 183 C LYS A 7 -15.900 4.778 -3.866 1.00 0.29 C ATOM 184 O LYS A 7 -14.867 5.187 -3.348 1.00 0.31 O ATOM 185 CB LYS A 7 -16.935 7.037 -4.072 1.00 0.39 C ATOM 186 CG LYS A 7 -18.186 7.802 -4.457 1.00 0.52 C ATOM 187 CD LYS A 7 -17.865 9.248 -4.788 1.00 0.63 C ATOM 188 CE LYS A 7 -19.029 9.923 -5.489 1.00 0.94 C ATOM 189 NZ LYS A 7 -18.771 11.365 -5.741 1.00 1.72 N ATOM 0 H LYS A 7 -17.467 6.153 -1.759 1.00 0.29 H new ATOM 0 HA LYS A 7 -17.919 5.180 -4.461 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -16.478 7.517 -3.207 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.216 7.100 -4.888 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -18.657 7.325 -5.317 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -18.905 7.764 -3.638 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -17.626 9.789 -3.872 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -16.980 9.290 -5.424 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -19.223 9.419 -6.436 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -19.928 9.817 -4.882 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -19.592 11.786 -6.221 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -18.612 11.852 -4.836 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -17.928 11.467 -6.342 1.00 1.72 H new ATOM 203 N ILE A 8 -15.965 3.644 -4.533 1.00 0.28 N ATOM 204 CA ILE A 8 -14.801 2.799 -4.694 1.00 0.28 C ATOM 205 C ILE A 8 -14.008 3.241 -5.912 1.00 0.31 C ATOM 206 O ILE A 8 -14.446 3.086 -7.050 1.00 0.34 O ATOM 207 CB ILE A 8 -15.175 1.293 -4.807 1.00 0.33 C ATOM 208 CG1 ILE A 8 -15.432 0.681 -3.423 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.076 0.512 -5.515 1.00 0.32 C ATOM 210 CD1 ILE A 8 -16.562 1.326 -2.652 1.00 0.51 C ATOM 0 H ILE A 8 -16.813 3.286 -4.973 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.188 2.908 -3.799 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.091 1.228 -5.394 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -15.651 -0.380 -3.544 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -14.519 0.753 -2.833 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.361 -0.538 -5.582 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -13.933 0.913 -6.518 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.147 0.601 -4.953 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.673 0.831 -1.687 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -16.339 2.381 -2.495 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -17.489 1.231 -3.217 1.00 0.51 H new ATOM 222 N SER A 9 -12.858 3.827 -5.664 1.00 0.33 N ATOM 223 CA SER A 9 -11.980 4.234 -6.734 1.00 0.39 C ATOM 224 C SER A 9 -10.960 3.136 -6.996 1.00 0.37 C ATOM 225 O SER A 9 -10.256 2.709 -6.086 1.00 0.45 O ATOM 226 CB SER A 9 -11.296 5.553 -6.374 1.00 0.46 C ATOM 227 OG SER A 9 -10.740 5.498 -5.072 1.00 1.48 O ATOM 0 H SER A 9 -12.510 4.032 -4.727 1.00 0.33 H new ATOM 0 HA SER A 9 -12.557 4.394 -7.645 1.00 0.39 H new ATOM 0 HB2 SER A 9 -10.512 5.770 -7.099 1.00 0.46 H new ATOM 0 HB3 SER A 9 -12.017 6.368 -6.431 1.00 0.46 H new ATOM 0 HG SER A 9 -10.307 6.352 -4.865 1.00 1.48 H new ATOM 233 N ILE A 10 -10.916 2.650 -8.222 1.00 0.40 N ATOM 234 CA ILE A 10 -9.976 1.603 -8.585 1.00 0.42 C ATOM 235 C ILE A 10 -8.984 2.145 -9.603 1.00 0.50 C ATOM 236 O ILE A 10 -9.282 2.222 -10.797 1.00 0.53 O ATOM 237 CB ILE A 10 -10.700 0.364 -9.164 1.00 0.40 C ATOM 238 CG1 ILE A 10 -11.763 -0.132 -8.177 1.00 0.38 C ATOM 239 CG2 ILE A 10 -9.699 -0.742 -9.471 1.00 0.45 C ATOM 240 CD1 ILE A 10 -12.614 -1.268 -8.708 1.00 0.43 C ATOM 0 H ILE A 10 -11.519 2.962 -8.983 1.00 0.40 H new ATOM 0 HA ILE A 10 -9.450 1.289 -7.683 1.00 0.42 H new ATOM 0 HB ILE A 10 -11.192 0.648 -10.094 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.270 -0.458 -7.261 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -12.413 0.701 -7.910 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.225 -1.606 -9.877 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -8.973 -0.383 -10.200 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.182 -1.029 -8.555 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.341 -1.562 -7.951 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.137 -0.941 -9.607 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -11.976 -2.119 -8.948 1.00 0.43 H new ATOM 252 N GLY A 11 -7.821 2.562 -9.121 1.00 0.59 N ATOM 253 CA GLY A 11 -6.838 3.186 -9.985 1.00 0.68 C ATOM 254 C GLY A 11 -7.190 4.629 -10.294 1.00 0.75 C ATOM 255 O GLY A 11 -6.394 5.538 -10.065 1.00 0.96 O ATOM 0 H GLY A 11 -7.540 2.479 -8.144 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -5.858 3.145 -9.509 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -6.764 2.623 -10.916 1.00 0.68 H new ATOM 259 N ASN A 12 -8.395 4.832 -10.807 1.00 0.75 N ATOM 260 CA ASN A 12 -8.887 6.158 -11.154 1.00 0.90 C ATOM 261 C ASN A 12 -10.411 6.150 -11.241 1.00 0.84 C ATOM 262 O ASN A 12 -11.081 7.035 -10.705 1.00 1.09 O ATOM 263 CB ASN A 12 -8.303 6.605 -12.493 1.00 1.09 C ATOM 264 CG ASN A 12 -8.899 7.910 -12.978 1.00 1.77 C ATOM 265 OD1 ASN A 12 -9.125 8.840 -12.200 1.00 2.62 O ATOM 266 ND2 ASN A 12 -9.186 7.973 -14.264 1.00 2.17 N ATOM 0 H ASN A 12 -9.060 4.082 -10.995 1.00 0.75 H new ATOM 0 HA ASN A 12 -8.576 6.855 -10.376 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -7.223 6.716 -12.396 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -8.478 5.830 -13.239 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -9.612 8.815 -14.651 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -8.982 7.180 -14.872 1.00 2.17 H new ATOM 273 N VAL A 13 -10.947 5.143 -11.928 1.00 0.65 N ATOM 274 CA VAL A 13 -12.390 5.005 -12.114 1.00 0.61 C ATOM 275 C VAL A 13 -13.107 4.894 -10.763 1.00 0.53 C ATOM 276 O VAL A 13 -12.515 4.469 -9.768 1.00 0.50 O ATOM 277 CB VAL A 13 -12.705 3.770 -12.996 1.00 0.61 C ATOM 278 CG1 VAL A 13 -12.215 2.496 -12.335 1.00 0.55 C ATOM 279 CG2 VAL A 13 -14.190 3.674 -13.321 1.00 0.65 C ATOM 0 H VAL A 13 -10.398 4.405 -12.368 1.00 0.65 H new ATOM 0 HA VAL A 13 -12.755 5.898 -12.621 1.00 0.61 H new ATOM 0 HB VAL A 13 -12.171 3.896 -13.938 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -12.447 1.643 -12.972 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -11.137 2.555 -12.186 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -12.708 2.373 -11.371 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -14.371 2.796 -13.941 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -14.760 3.589 -12.396 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -14.503 4.569 -13.859 1.00 0.65 H new ATOM 289 N VAL A 14 -14.385 5.256 -10.739 1.00 0.51 N ATOM 290 CA VAL A 14 -15.146 5.286 -9.501 1.00 0.46 C ATOM 291 C VAL A 14 -16.389 4.406 -9.612 1.00 0.41 C ATOM 292 O VAL A 14 -17.221 4.575 -10.507 1.00 0.45 O ATOM 293 CB VAL A 14 -15.549 6.730 -9.098 1.00 0.53 C ATOM 294 CG1 VAL A 14 -16.408 7.389 -10.166 1.00 0.62 C ATOM 295 CG2 VAL A 14 -16.268 6.736 -7.755 1.00 0.50 C ATOM 0 H VAL A 14 -14.914 5.533 -11.566 1.00 0.51 H new ATOM 0 HA VAL A 14 -14.498 4.893 -8.718 1.00 0.46 H new ATOM 0 HB VAL A 14 -14.632 7.312 -9.003 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -16.671 8.398 -9.850 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -15.852 7.435 -11.102 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -17.317 6.806 -10.312 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -16.541 7.758 -7.493 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -17.169 6.126 -7.822 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -15.610 6.328 -6.988 1.00 0.50 H new ATOM 305 N LYS A 15 -16.482 3.440 -8.722 1.00 0.39 N ATOM 306 CA LYS A 15 -17.629 2.557 -8.658 1.00 0.41 C ATOM 307 C LYS A 15 -18.375 2.791 -7.353 1.00 0.35 C ATOM 308 O LYS A 15 -17.764 2.888 -6.296 1.00 0.31 O ATOM 309 CB LYS A 15 -17.176 1.102 -8.771 1.00 0.50 C ATOM 310 CG LYS A 15 -16.526 0.771 -10.106 1.00 0.67 C ATOM 311 CD LYS A 15 -17.502 0.953 -11.255 1.00 0.80 C ATOM 312 CE LYS A 15 -16.866 0.608 -12.590 1.00 1.02 C ATOM 313 NZ LYS A 15 -17.811 0.818 -13.716 1.00 1.28 N ATOM 0 H LYS A 15 -15.765 3.245 -8.023 1.00 0.39 H new ATOM 0 HA LYS A 15 -18.301 2.769 -9.490 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -16.470 0.886 -7.969 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -18.036 0.449 -8.623 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -15.658 1.412 -10.259 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -16.165 -0.257 -10.092 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -18.376 0.322 -11.094 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -17.853 1.985 -11.275 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -15.978 1.222 -12.740 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -16.537 -0.431 -12.579 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -17.343 0.573 -14.612 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -18.647 0.213 -13.585 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -18.105 1.815 -13.741 1.00 1.28 H new ATOM 327 N THR A 16 -19.685 2.885 -7.423 1.00 0.38 N ATOM 328 CA THR A 16 -20.472 3.206 -6.249 1.00 0.37 C ATOM 329 C THR A 16 -21.052 1.938 -5.634 1.00 0.35 C ATOM 330 O THR A 16 -21.848 1.236 -6.261 1.00 0.39 O ATOM 331 CB THR A 16 -21.599 4.195 -6.600 1.00 0.45 C ATOM 332 OG1 THR A 16 -21.051 5.310 -7.322 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.300 4.694 -5.345 1.00 0.45 C ATOM 0 H THR A 16 -20.227 2.745 -8.276 1.00 0.38 H new ATOM 0 HA THR A 16 -19.816 3.680 -5.518 1.00 0.37 H new ATOM 0 HB THR A 16 -22.332 3.676 -7.218 1.00 0.45 H new ATOM 0 HG1 THR A 16 -21.768 5.939 -7.547 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.091 5.391 -5.623 1.00 0.45 H new ATOM 0 HG22 THR A 16 -22.732 3.849 -4.809 1.00 0.45 H new ATOM 0 HG23 THR A 16 -21.579 5.200 -4.703 1.00 0.45 H new ATOM 341 N MET A 17 -20.645 1.649 -4.407 1.00 0.31 N ATOM 342 CA MET A 17 -21.054 0.435 -3.719 1.00 0.32 C ATOM 343 C MET A 17 -21.576 0.771 -2.336 1.00 0.32 C ATOM 344 O MET A 17 -21.124 1.729 -1.712 1.00 0.31 O ATOM 345 CB MET A 17 -19.878 -0.538 -3.591 1.00 0.34 C ATOM 346 CG MET A 17 -19.661 -1.422 -4.805 1.00 0.44 C ATOM 347 SD MET A 17 -20.853 -2.772 -4.905 1.00 1.04 S ATOM 348 CE MET A 17 -20.477 -3.685 -3.404 1.00 0.40 C ATOM 0 H MET A 17 -20.024 2.247 -3.862 1.00 0.31 H new ATOM 0 HA MET A 17 -21.843 -0.037 -4.304 1.00 0.32 H new ATOM 0 HB2 MET A 17 -18.968 0.033 -3.405 1.00 0.34 H new ATOM 0 HB3 MET A 17 -20.040 -1.172 -2.719 1.00 0.34 H new ATOM 0 HG2 MET A 17 -19.729 -0.815 -5.708 1.00 0.44 H new ATOM 0 HG3 MET A 17 -18.653 -1.835 -4.773 1.00 0.44 H new ATOM 0 HE1 MET A 17 -20.949 -4.667 -3.447 1.00 0.40 H new ATOM 0 HE2 MET A 17 -19.398 -3.805 -3.312 1.00 0.40 H new ATOM 0 HE3 MET A 17 -20.856 -3.138 -2.541 1.00 0.40 H new ATOM 358 N GLN A 18 -22.527 -0.005 -1.865 1.00 0.36 N ATOM 359 CA GLN A 18 -23.020 0.142 -0.512 1.00 0.37 C ATOM 360 C GLN A 18 -22.627 -1.064 0.309 1.00 0.35 C ATOM 361 O GLN A 18 -22.762 -2.205 -0.143 1.00 0.38 O ATOM 362 CB GLN A 18 -24.531 0.328 -0.509 1.00 0.44 C ATOM 363 CG GLN A 18 -24.948 1.748 -0.829 1.00 0.49 C ATOM 364 CD GLN A 18 -26.366 1.835 -1.350 1.00 0.59 C ATOM 365 OE1 GLN A 18 -27.317 2.006 -0.590 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.522 1.701 -2.659 1.00 0.60 N ATOM 0 H GLN A 18 -22.976 -0.747 -2.401 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.572 1.031 -0.067 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -24.977 -0.350 -1.237 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -24.925 0.050 0.469 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -24.856 2.360 0.068 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -24.266 2.165 -1.571 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.708 1.561 -3.258 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.456 1.738 -3.068 1.00 0.60 H new ATOM 375 N PHE A 19 -22.138 -0.819 1.506 1.00 0.34 N ATOM 376 CA PHE A 19 -21.704 -1.881 2.386 1.00 0.33 C ATOM 377 C PHE A 19 -22.321 -1.655 3.747 1.00 0.37 C ATOM 378 O PHE A 19 -22.523 -0.512 4.154 1.00 0.40 O ATOM 379 CB PHE A 19 -20.178 -1.900 2.525 1.00 0.29 C ATOM 380 CG PHE A 19 -19.431 -2.076 1.234 1.00 0.27 C ATOM 381 CD1 PHE A 19 -19.287 -3.331 0.670 1.00 0.33 C ATOM 382 CD2 PHE A 19 -18.890 -0.985 0.579 1.00 0.30 C ATOM 383 CE1 PHE A 19 -18.615 -3.495 -0.525 1.00 0.36 C ATOM 384 CE2 PHE A 19 -18.218 -1.143 -0.618 1.00 0.31 C ATOM 385 CZ PHE A 19 -18.020 -2.406 -1.135 1.00 0.31 C ATOM 0 H PHE A 19 -22.031 0.118 1.895 1.00 0.34 H new ATOM 0 HA PHE A 19 -22.019 -2.836 1.967 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.858 -0.968 2.990 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -19.899 -2.706 3.203 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.705 -4.192 1.170 1.00 0.33 H new ATOM 0 HD2 PHE A 19 -18.994 0.001 1.007 1.00 0.30 H new ATOM 0 HE1 PHE A 19 -18.554 -4.472 -0.982 1.00 0.36 H new ATOM 0 HE2 PHE A 19 -17.848 -0.278 -1.148 1.00 0.31 H new ATOM 0 HZ PHE A 19 -17.404 -2.544 -2.011 1.00 0.31 H new ATOM 395 N GLU A 20 -22.622 -2.724 4.446 1.00 0.39 N ATOM 396 CA GLU A 20 -23.166 -2.602 5.781 1.00 0.43 C ATOM 397 C GLU A 20 -22.087 -2.065 6.713 1.00 0.44 C ATOM 398 O GLU A 20 -20.919 -2.439 6.605 1.00 0.47 O ATOM 399 CB GLU A 20 -23.692 -3.949 6.276 1.00 0.50 C ATOM 400 CG GLU A 20 -24.780 -4.532 5.389 1.00 0.61 C ATOM 401 CD GLU A 20 -25.112 -5.970 5.724 1.00 0.90 C ATOM 402 OE1 GLU A 20 -25.758 -6.218 6.760 1.00 1.42 O ATOM 403 OE2 GLU A 20 -24.744 -6.866 4.933 1.00 1.06 O ATOM 0 H GLU A 20 -22.501 -3.682 4.117 1.00 0.39 H new ATOM 0 HA GLU A 20 -24.005 -1.907 5.766 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.864 -4.655 6.335 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -24.082 -3.830 7.287 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -25.681 -3.926 5.483 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -24.463 -4.472 4.348 1.00 0.61 H new ATOM 410 N PRO A 21 -22.459 -1.139 7.602 1.00 0.50 N ATOM 411 CA PRO A 21 -21.542 -0.542 8.567 1.00 0.53 C ATOM 412 C PRO A 21 -20.680 -1.585 9.295 1.00 0.53 C ATOM 413 O PRO A 21 -19.530 -1.311 9.646 1.00 0.65 O ATOM 414 CB PRO A 21 -22.461 0.202 9.552 1.00 0.57 C ATOM 415 CG PRO A 21 -23.866 0.080 9.031 1.00 0.61 C ATOM 416 CD PRO A 21 -23.799 -0.568 7.680 1.00 0.62 C ATOM 0 HA PRO A 21 -20.822 0.113 8.077 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -22.383 -0.228 10.550 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -22.170 1.249 9.632 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -24.475 -0.516 9.711 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -24.334 1.062 8.961 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -24.563 -1.338 7.573 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -23.965 0.159 6.885 1.00 0.62 H new ATOM 424 N SER A 22 -21.223 -2.787 9.481 1.00 0.50 N ATOM 425 CA SER A 22 -20.513 -3.858 10.176 1.00 0.61 C ATOM 426 C SER A 22 -20.012 -4.940 9.207 1.00 0.84 C ATOM 427 O SER A 22 -19.631 -6.032 9.634 1.00 1.64 O ATOM 428 CB SER A 22 -21.439 -4.476 11.224 1.00 0.68 C ATOM 429 OG SER A 22 -22.703 -4.799 10.661 1.00 1.32 O ATOM 0 H SER A 22 -22.156 -3.044 9.158 1.00 0.50 H new ATOM 0 HA SER A 22 -19.635 -3.428 10.659 1.00 0.61 H new ATOM 0 HB2 SER A 22 -20.980 -5.375 11.635 1.00 0.68 H new ATOM 0 HB3 SER A 22 -21.573 -3.780 12.052 1.00 0.68 H new ATOM 0 HG SER A 22 -23.277 -5.194 11.350 1.00 1.32 H new ATOM 435 N THR A 23 -20.003 -4.629 7.913 1.00 0.41 N ATOM 436 CA THR A 23 -19.601 -5.581 6.876 1.00 0.49 C ATOM 437 C THR A 23 -18.156 -6.069 7.045 1.00 0.63 C ATOM 438 O THR A 23 -17.898 -7.268 6.958 1.00 1.47 O ATOM 439 CB THR A 23 -19.790 -4.959 5.468 1.00 0.51 C ATOM 440 OG1 THR A 23 -21.165 -5.025 5.091 1.00 0.68 O ATOM 441 CG2 THR A 23 -18.952 -5.651 4.410 1.00 0.50 C ATOM 0 H THR A 23 -20.273 -3.714 7.553 1.00 0.41 H new ATOM 0 HA THR A 23 -20.248 -6.452 6.982 1.00 0.49 H new ATOM 0 HB THR A 23 -19.458 -3.922 5.530 1.00 0.51 H new ATOM 0 HG1 THR A 23 -21.540 -5.886 5.371 1.00 0.68 H new ATOM 0 HG21 THR A 23 -19.122 -5.177 3.443 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.897 -5.572 4.672 1.00 0.50 H new ATOM 0 HG23 THR A 23 -19.234 -6.702 4.353 1.00 0.50 H new ATOM 449 N MET A 24 -17.240 -5.133 7.316 1.00 0.54 N ATOM 450 CA MET A 24 -15.791 -5.406 7.374 1.00 0.48 C ATOM 451 C MET A 24 -15.169 -5.430 5.989 1.00 0.43 C ATOM 452 O MET A 24 -15.823 -5.746 4.997 1.00 0.47 O ATOM 453 CB MET A 24 -15.444 -6.736 8.046 1.00 0.60 C ATOM 454 CG MET A 24 -14.662 -6.612 9.333 1.00 0.57 C ATOM 455 SD MET A 24 -15.725 -6.562 10.786 1.00 0.83 S ATOM 456 CE MET A 24 -14.507 -6.630 12.097 1.00 0.71 C ATOM 0 H MET A 24 -17.479 -4.159 7.503 1.00 0.54 H new ATOM 0 HA MET A 24 -15.388 -4.589 7.972 1.00 0.48 H new ATOM 0 HB2 MET A 24 -16.369 -7.276 8.250 1.00 0.60 H new ATOM 0 HB3 MET A 24 -14.869 -7.342 7.345 1.00 0.60 H new ATOM 0 HG2 MET A 24 -13.975 -7.454 9.419 1.00 0.57 H new ATOM 0 HG3 MET A 24 -14.055 -5.707 9.300 1.00 0.57 H new ATOM 0 HE1 MET A 24 -14.764 -7.430 12.791 1.00 0.71 H new ATOM 0 HE2 MET A 24 -13.523 -6.823 11.670 1.00 0.71 H new ATOM 0 HE3 MET A 24 -14.492 -5.679 12.629 1.00 0.71 H new ATOM 466 N VAL A 25 -13.895 -5.077 5.949 1.00 0.40 N ATOM 467 CA VAL A 25 -13.087 -5.194 4.742 1.00 0.38 C ATOM 468 C VAL A 25 -13.215 -6.582 4.097 1.00 0.39 C ATOM 469 O VAL A 25 -13.363 -6.686 2.879 1.00 0.39 O ATOM 470 CB VAL A 25 -11.604 -4.900 5.037 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.730 -5.167 3.819 1.00 0.42 C ATOM 472 CG2 VAL A 25 -11.449 -3.463 5.494 1.00 0.40 C ATOM 0 H VAL A 25 -13.390 -4.701 6.751 1.00 0.40 H new ATOM 0 HA VAL A 25 -13.468 -4.453 4.039 1.00 0.38 H new ATOM 0 HB VAL A 25 -11.274 -5.570 5.831 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.690 -4.949 4.063 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -10.823 -6.213 3.527 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -11.051 -4.530 2.995 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -10.399 -3.259 5.702 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -11.801 -2.792 4.711 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -12.036 -3.304 6.399 1.00 0.40 H new ATOM 482 N TYR A 26 -13.186 -7.643 4.911 1.00 0.42 N ATOM 483 CA TYR A 26 -13.165 -9.001 4.361 1.00 0.45 C ATOM 484 C TYR A 26 -14.452 -9.325 3.601 1.00 0.43 C ATOM 485 O TYR A 26 -14.418 -9.970 2.551 1.00 0.42 O ATOM 486 CB TYR A 26 -12.865 -10.071 5.434 1.00 0.52 C ATOM 487 CG TYR A 26 -13.900 -10.232 6.532 1.00 0.56 C ATOM 488 CD1 TYR A 26 -15.067 -10.961 6.324 1.00 0.70 C ATOM 489 CD2 TYR A 26 -13.692 -9.680 7.787 1.00 0.58 C ATOM 490 CE1 TYR A 26 -15.995 -11.126 7.333 1.00 0.78 C ATOM 491 CE2 TYR A 26 -14.615 -9.842 8.799 1.00 0.65 C ATOM 492 CZ TYR A 26 -15.763 -10.564 8.569 1.00 0.72 C ATOM 493 OH TYR A 26 -16.686 -10.714 9.579 1.00 0.83 O ATOM 0 H TYR A 26 -13.177 -7.591 5.930 1.00 0.42 H new ATOM 0 HA TYR A 26 -12.341 -9.029 3.648 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -12.744 -11.032 4.934 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -11.908 -9.831 5.898 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -15.250 -11.405 5.357 1.00 0.70 H new ATOM 0 HD2 TYR A 26 -12.792 -9.114 7.975 1.00 0.58 H new ATOM 0 HE1 TYR A 26 -16.897 -11.692 7.154 1.00 0.78 H new ATOM 0 HE2 TYR A 26 -14.437 -9.403 9.770 1.00 0.65 H new ATOM 0 HH TYR A 26 -16.366 -10.257 10.385 1.00 0.83 H new ATOM 503 N ASP A 27 -15.577 -8.849 4.118 1.00 0.43 N ATOM 504 CA ASP A 27 -16.867 -9.074 3.477 1.00 0.44 C ATOM 505 C ASP A 27 -17.015 -8.135 2.283 1.00 0.39 C ATOM 506 O ASP A 27 -17.486 -8.528 1.220 1.00 0.40 O ATOM 507 CB ASP A 27 -18.003 -8.878 4.489 1.00 0.50 C ATOM 508 CG ASP A 27 -19.392 -9.160 3.932 1.00 0.91 C ATOM 509 OD1 ASP A 27 -19.486 -9.761 2.835 1.00 1.24 O ATOM 510 OD2 ASP A 27 -20.392 -8.761 4.560 1.00 1.48 O ATOM 0 H ASP A 27 -15.623 -8.305 4.979 1.00 0.43 H new ATOM 0 HA ASP A 27 -16.921 -10.100 3.114 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -17.828 -9.530 5.345 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -17.973 -7.853 4.858 1.00 0.50 H new ATOM 515 N ALA A 28 -16.577 -6.892 2.459 1.00 0.37 N ATOM 516 CA ALA A 28 -16.613 -5.905 1.385 1.00 0.33 C ATOM 517 C ALA A 28 -15.850 -6.393 0.158 1.00 0.32 C ATOM 518 O ALA A 28 -16.366 -6.354 -0.961 1.00 0.31 O ATOM 519 CB ALA A 28 -16.043 -4.580 1.869 1.00 0.33 C ATOM 0 H ALA A 28 -16.192 -6.544 3.337 1.00 0.37 H new ATOM 0 HA ALA A 28 -17.654 -5.760 1.096 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -16.076 -3.852 1.058 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -16.634 -4.215 2.709 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -15.010 -4.723 2.187 1.00 0.33 H new ATOM 525 N CYS A 29 -14.629 -6.862 0.383 1.00 0.35 N ATOM 526 CA CYS A 29 -13.768 -7.342 -0.693 1.00 0.37 C ATOM 527 C CYS A 29 -14.431 -8.466 -1.489 1.00 0.38 C ATOM 528 O CYS A 29 -14.292 -8.536 -2.708 1.00 0.40 O ATOM 529 CB CYS A 29 -12.433 -7.831 -0.121 1.00 0.45 C ATOM 530 SG CYS A 29 -11.181 -8.197 -1.372 1.00 1.37 S ATOM 0 H CYS A 29 -14.209 -6.921 1.310 1.00 0.35 H new ATOM 0 HA CYS A 29 -13.592 -6.507 -1.372 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -12.042 -7.073 0.558 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -12.611 -8.728 0.472 1.00 0.45 H new ATOM 0 HG CYS A 29 -10.091 -8.600 -0.790 1.00 1.37 H new ATOM 536 N ARG A 30 -15.176 -9.327 -0.811 1.00 0.40 N ATOM 537 CA ARG A 30 -15.734 -10.497 -1.475 1.00 0.44 C ATOM 538 C ARG A 30 -16.940 -10.122 -2.333 1.00 0.42 C ATOM 539 O ARG A 30 -17.187 -10.741 -3.367 1.00 0.45 O ATOM 540 CB ARG A 30 -16.080 -11.597 -0.466 1.00 0.49 C ATOM 541 CG ARG A 30 -17.285 -11.319 0.416 1.00 0.53 C ATOM 542 CD ARG A 30 -17.387 -12.363 1.515 1.00 0.71 C ATOM 543 NE ARG A 30 -18.530 -12.140 2.391 1.00 1.12 N ATOM 544 CZ ARG A 30 -19.009 -13.047 3.239 1.00 1.68 C ATOM 545 NH1 ARG A 30 -18.412 -14.228 3.366 1.00 1.94 N ATOM 546 NH2 ARG A 30 -20.074 -12.761 3.979 1.00 2.41 N ATOM 0 H ARG A 30 -15.405 -9.242 0.179 1.00 0.40 H new ATOM 0 HA ARG A 30 -14.970 -10.897 -2.142 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -16.257 -12.524 -1.012 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -15.214 -11.764 0.174 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -17.201 -10.325 0.856 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -18.194 -11.325 -0.186 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -17.465 -13.353 1.065 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -16.472 -12.353 2.107 1.00 0.71 H new ATOM 0 HE ARG A 30 -18.992 -11.232 2.352 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -17.583 -14.442 2.812 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -18.783 -14.920 4.017 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -20.522 -11.849 3.896 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -20.444 -13.454 4.630 1.00 2.41 H new ATOM 560 N MET A 31 -17.676 -9.102 -1.916 1.00 0.39 N ATOM 561 CA MET A 31 -18.822 -8.632 -2.679 1.00 0.40 C ATOM 562 C MET A 31 -18.399 -7.734 -3.836 1.00 0.38 C ATOM 563 O MET A 31 -18.973 -7.802 -4.922 1.00 0.44 O ATOM 564 CB MET A 31 -19.782 -7.883 -1.768 1.00 0.39 C ATOM 565 CG MET A 31 -20.221 -8.707 -0.576 1.00 0.43 C ATOM 566 SD MET A 31 -21.246 -7.778 0.571 1.00 0.45 S ATOM 567 CE MET A 31 -20.038 -6.595 1.145 1.00 0.39 C ATOM 0 H MET A 31 -17.500 -8.585 -1.055 1.00 0.39 H new ATOM 0 HA MET A 31 -19.322 -9.505 -3.099 1.00 0.40 H new ATOM 0 HB2 MET A 31 -19.304 -6.969 -1.416 1.00 0.39 H new ATOM 0 HB3 MET A 31 -20.660 -7.583 -2.340 1.00 0.39 H new ATOM 0 HG2 MET A 31 -20.774 -9.579 -0.926 1.00 0.43 H new ATOM 0 HG3 MET A 31 -19.340 -9.077 -0.051 1.00 0.43 H new ATOM 0 HE1 MET A 31 -20.530 -5.842 1.761 1.00 0.39 H new ATOM 0 HE2 MET A 31 -19.279 -7.108 1.736 1.00 0.39 H new ATOM 0 HE3 MET A 31 -19.567 -6.112 0.289 1.00 0.39 H new ATOM 577 N ILE A 32 -17.397 -6.892 -3.607 1.00 0.34 N ATOM 578 CA ILE A 32 -16.948 -5.967 -4.639 1.00 0.33 C ATOM 579 C ILE A 32 -16.346 -6.725 -5.824 1.00 0.36 C ATOM 580 O ILE A 32 -16.639 -6.412 -6.974 1.00 0.40 O ATOM 581 CB ILE A 32 -15.948 -4.915 -4.093 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.618 -3.900 -5.186 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.676 -5.565 -3.565 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.675 -2.814 -4.737 1.00 0.48 C ATOM 0 H ILE A 32 -16.886 -6.831 -2.726 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.827 -5.423 -4.983 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.420 -4.403 -3.255 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -15.178 -4.423 -6.035 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.543 -3.444 -5.537 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -14.002 -4.794 -3.192 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -14.927 -6.251 -2.756 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -14.188 -6.116 -4.369 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.486 -2.131 -5.565 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -15.121 -2.265 -3.908 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.735 -3.260 -4.413 1.00 0.48 H new ATOM 596 N ARG A 33 -15.531 -7.736 -5.537 1.00 0.36 N ATOM 597 CA ARG A 33 -14.965 -8.595 -6.579 1.00 0.41 C ATOM 598 C ARG A 33 -16.068 -9.334 -7.333 1.00 0.45 C ATOM 599 O ARG A 33 -15.905 -9.699 -8.497 1.00 0.49 O ATOM 600 CB ARG A 33 -13.990 -9.607 -5.976 1.00 0.45 C ATOM 601 CG ARG A 33 -12.792 -8.970 -5.293 1.00 1.01 C ATOM 602 CD ARG A 33 -11.832 -10.016 -4.745 1.00 0.94 C ATOM 603 NE ARG A 33 -12.505 -10.993 -3.891 1.00 0.64 N ATOM 604 CZ ARG A 33 -11.936 -11.618 -2.863 1.00 0.84 C ATOM 605 NH1 ARG A 33 -10.698 -11.312 -2.483 1.00 1.32 N ATOM 606 NH2 ARG A 33 -12.622 -12.542 -2.209 1.00 1.22 N ATOM 0 H ARG A 33 -15.246 -7.983 -4.589 1.00 0.36 H new ATOM 0 HA ARG A 33 -14.426 -7.956 -7.279 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -14.523 -10.225 -5.253 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -13.636 -10.272 -6.764 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -12.267 -8.331 -6.002 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -13.135 -8.330 -4.480 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -11.349 -10.533 -5.574 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -11.045 -9.521 -4.176 1.00 0.94 H new ATOM 0 HE ARG A 33 -13.480 -11.211 -4.098 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -10.175 -10.592 -2.981 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -10.272 -11.798 -1.694 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -13.575 -12.767 -2.495 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -12.198 -13.029 -1.419 1.00 1.22 H new ATOM 620 N GLU A 34 -17.179 -9.555 -6.648 1.00 0.46 N ATOM 621 CA GLU A 34 -18.281 -10.330 -7.202 1.00 0.51 C ATOM 622 C GLU A 34 -19.010 -9.543 -8.287 1.00 0.50 C ATOM 623 O GLU A 34 -19.076 -9.961 -9.443 1.00 0.54 O ATOM 624 CB GLU A 34 -19.268 -10.712 -6.091 1.00 0.55 C ATOM 625 CG GLU A 34 -20.437 -11.562 -6.564 1.00 0.90 C ATOM 626 CD GLU A 34 -19.996 -12.805 -7.311 1.00 1.51 C ATOM 627 OE1 GLU A 34 -19.240 -13.612 -6.732 1.00 1.50 O ATOM 628 OE2 GLU A 34 -20.416 -12.988 -8.474 1.00 2.40 O ATOM 0 H GLU A 34 -17.343 -9.207 -5.703 1.00 0.46 H new ATOM 0 HA GLU A 34 -17.868 -11.235 -7.648 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -18.730 -11.254 -5.313 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -19.656 -9.801 -5.635 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -21.039 -11.855 -5.704 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -21.077 -10.963 -7.211 1.00 0.90 H new ATOM 635 N ARG A 35 -19.558 -8.404 -7.904 1.00 0.51 N ATOM 636 CA ARG A 35 -20.355 -7.595 -8.818 1.00 0.55 C ATOM 637 C ARG A 35 -19.504 -6.674 -9.690 1.00 0.49 C ATOM 638 O ARG A 35 -19.881 -6.374 -10.820 1.00 0.54 O ATOM 639 CB ARG A 35 -21.413 -6.811 -8.042 1.00 0.72 C ATOM 640 CG ARG A 35 -20.875 -6.078 -6.829 1.00 0.77 C ATOM 641 CD ARG A 35 -21.955 -5.913 -5.777 1.00 0.79 C ATOM 642 NE ARG A 35 -23.094 -5.141 -6.278 1.00 1.02 N ATOM 643 CZ ARG A 35 -24.072 -4.658 -5.515 1.00 1.46 C ATOM 644 NH1 ARG A 35 -24.079 -4.876 -4.207 1.00 1.79 N ATOM 645 NH2 ARG A 35 -25.053 -3.957 -6.070 1.00 1.90 N ATOM 0 H ARG A 35 -19.467 -8.015 -6.965 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.856 -8.278 -9.504 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -21.879 -6.089 -8.712 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -22.196 -7.498 -7.720 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -20.033 -6.629 -6.409 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -20.499 -5.099 -7.127 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -22.298 -6.895 -5.452 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -21.536 -5.416 -4.902 1.00 0.79 H new ATOM 0 HE ARG A 35 -23.141 -4.961 -7.281 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -23.330 -5.418 -3.776 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -24.833 -4.501 -3.632 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -25.055 -3.791 -7.076 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -25.805 -3.585 -5.490 1.00 1.90 H new ATOM 659 N ILE A 36 -18.369 -6.218 -9.174 1.00 0.45 N ATOM 660 CA ILE A 36 -17.510 -5.315 -9.930 1.00 0.43 C ATOM 661 C ILE A 36 -16.320 -6.067 -10.522 1.00 0.45 C ATOM 662 O ILE A 36 -15.384 -6.430 -9.809 1.00 0.44 O ATOM 663 CB ILE A 36 -16.996 -4.143 -9.061 1.00 0.43 C ATOM 664 CG1 ILE A 36 -18.172 -3.370 -8.459 1.00 0.43 C ATOM 665 CG2 ILE A 36 -16.115 -3.214 -9.887 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.751 -2.216 -7.574 1.00 0.44 C ATOM 0 H ILE A 36 -18.024 -6.456 -8.244 1.00 0.45 H new ATOM 0 HA ILE A 36 -18.117 -4.903 -10.736 1.00 0.43 H new ATOM 0 HB ILE A 36 -16.398 -4.552 -8.247 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.796 -2.988 -9.267 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.788 -4.057 -7.878 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.762 -2.395 -9.260 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -15.261 -3.770 -10.273 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.691 -2.811 -10.720 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.637 -1.715 -7.183 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -17.152 -2.593 -6.745 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -17.161 -1.508 -8.156 1.00 0.44 H new ATOM 678 N PRO A 37 -16.333 -6.303 -11.842 1.00 0.53 N ATOM 679 CA PRO A 37 -15.252 -7.010 -12.531 1.00 0.60 C ATOM 680 C PRO A 37 -13.993 -6.156 -12.649 1.00 0.61 C ATOM 681 O PRO A 37 -12.923 -6.650 -12.996 1.00 0.71 O ATOM 682 CB PRO A 37 -15.827 -7.304 -13.925 1.00 0.73 C ATOM 683 CG PRO A 37 -17.278 -6.957 -13.847 1.00 0.76 C ATOM 684 CD PRO A 37 -17.402 -5.922 -12.770 1.00 0.60 C ATOM 0 HA PRO A 37 -14.949 -7.906 -11.990 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -15.324 -6.711 -14.689 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -15.689 -8.352 -14.192 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -17.638 -6.572 -14.801 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -17.877 -7.837 -13.612 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -17.262 -4.913 -13.158 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -18.382 -5.947 -12.293 1.00 0.60 H new ATOM 692 N GLU A 38 -14.130 -4.870 -12.351 1.00 0.57 N ATOM 693 CA GLU A 38 -13.007 -3.946 -12.413 1.00 0.61 C ATOM 694 C GLU A 38 -12.163 -4.050 -11.145 1.00 0.54 C ATOM 695 O GLU A 38 -11.057 -3.517 -11.077 1.00 0.62 O ATOM 696 CB GLU A 38 -13.511 -2.508 -12.577 1.00 0.75 C ATOM 697 CG GLU A 38 -14.546 -2.334 -13.680 1.00 0.99 C ATOM 698 CD GLU A 38 -14.049 -2.795 -15.033 1.00 1.67 C ATOM 699 OE1 GLU A 38 -13.060 -2.224 -15.534 1.00 2.46 O ATOM 700 OE2 GLU A 38 -14.643 -3.733 -15.601 1.00 2.04 O ATOM 0 H GLU A 38 -15.011 -4.443 -12.063 1.00 0.57 H new ATOM 0 HA GLU A 38 -12.392 -4.210 -13.273 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -13.943 -2.176 -11.633 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -12.661 -1.858 -12.785 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -15.445 -2.893 -13.419 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -14.830 -1.284 -13.742 1.00 0.99 H new ATOM 707 N ALA A 39 -12.699 -4.742 -10.146 1.00 0.47 N ATOM 708 CA ALA A 39 -12.049 -4.845 -8.846 1.00 0.47 C ATOM 709 C ALA A 39 -10.775 -5.680 -8.914 1.00 0.49 C ATOM 710 O ALA A 39 -9.709 -5.233 -8.504 1.00 0.55 O ATOM 711 CB ALA A 39 -13.013 -5.431 -7.824 1.00 0.47 C ATOM 0 H ALA A 39 -13.586 -5.242 -10.213 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.764 -3.839 -8.536 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.517 -5.504 -6.856 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.887 -4.786 -7.736 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -13.326 -6.424 -8.147 1.00 0.47 H new ATOM 717 N LEU A 40 -10.881 -6.886 -9.454 1.00 0.50 N ATOM 718 CA LEU A 40 -9.754 -7.813 -9.468 1.00 0.59 C ATOM 719 C LEU A 40 -8.813 -7.555 -10.649 1.00 0.67 C ATOM 720 O LEU A 40 -8.625 -8.410 -11.518 1.00 0.99 O ATOM 721 CB LEU A 40 -10.217 -9.291 -9.434 1.00 0.65 C ATOM 722 CG LEU A 40 -11.497 -9.668 -10.214 1.00 0.62 C ATOM 723 CD1 LEU A 40 -12.748 -9.222 -9.473 1.00 1.29 C ATOM 724 CD2 LEU A 40 -11.482 -9.086 -11.616 1.00 1.19 C ATOM 0 H LEU A 40 -11.731 -7.246 -9.887 1.00 0.50 H new ATOM 0 HA LEU A 40 -9.189 -7.627 -8.554 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -9.401 -9.905 -9.814 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -10.367 -9.570 -8.391 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.515 -10.755 -10.295 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -13.631 -9.502 -10.048 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -12.783 -9.704 -8.496 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -12.728 -8.140 -9.343 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -12.396 -9.370 -12.138 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -11.420 -7.999 -11.558 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -10.619 -9.470 -12.160 1.00 1.19 H new ATOM 736 N ALA A 41 -8.207 -6.373 -10.663 1.00 0.65 N ATOM 737 CA ALA A 41 -7.255 -6.006 -11.706 1.00 0.74 C ATOM 738 C ALA A 41 -6.004 -6.881 -11.632 1.00 0.81 C ATOM 739 O ALA A 41 -5.221 -6.961 -12.579 1.00 1.15 O ATOM 740 CB ALA A 41 -6.889 -4.535 -11.586 1.00 0.92 C ATOM 0 H ALA A 41 -8.359 -5.649 -9.961 1.00 0.65 H new ATOM 0 HA ALA A 41 -7.724 -6.171 -12.676 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -6.178 -4.272 -12.369 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -7.787 -3.927 -11.692 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -6.439 -4.350 -10.611 1.00 0.92 H new ATOM 746 N GLY A 42 -5.831 -7.527 -10.491 1.00 0.75 N ATOM 747 CA GLY A 42 -4.751 -8.469 -10.303 1.00 0.86 C ATOM 748 C GLY A 42 -5.147 -9.529 -9.300 1.00 0.80 C ATOM 749 O GLY A 42 -6.343 -9.741 -9.089 1.00 0.82 O ATOM 0 H GLY A 42 -6.434 -7.411 -9.676 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.497 -8.936 -11.255 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -3.860 -7.946 -9.957 1.00 0.86 H new ATOM 753 N PRO A 43 -4.182 -10.208 -8.660 1.00 0.83 N ATOM 754 CA PRO A 43 -4.476 -11.201 -7.620 1.00 0.82 C ATOM 755 C PRO A 43 -5.312 -10.605 -6.493 1.00 0.72 C ATOM 756 O PRO A 43 -4.855 -9.702 -5.790 1.00 0.66 O ATOM 757 CB PRO A 43 -3.095 -11.606 -7.097 1.00 0.94 C ATOM 758 CG PRO A 43 -2.153 -11.267 -8.202 1.00 1.09 C ATOM 759 CD PRO A 43 -2.736 -10.067 -8.895 1.00 0.98 C ATOM 0 HA PRO A 43 -5.054 -12.039 -8.009 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.844 -11.066 -6.184 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -3.059 -12.669 -6.859 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -1.159 -11.047 -7.813 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -2.047 -12.103 -8.894 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -2.350 -9.136 -8.480 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.500 -10.063 -9.959 1.00 0.98 H new ATOM 767 N PRO A 44 -6.548 -11.103 -6.307 1.00 0.76 N ATOM 768 CA PRO A 44 -7.487 -10.579 -5.303 1.00 0.73 C ATOM 769 C PRO A 44 -6.933 -10.651 -3.882 1.00 0.69 C ATOM 770 O PRO A 44 -7.428 -9.980 -2.976 1.00 0.74 O ATOM 771 CB PRO A 44 -8.718 -11.483 -5.445 1.00 0.93 C ATOM 772 CG PRO A 44 -8.236 -12.692 -6.171 1.00 0.99 C ATOM 773 CD PRO A 44 -7.135 -12.217 -7.071 1.00 0.89 C ATOM 0 HA PRO A 44 -7.698 -9.523 -5.469 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -9.127 -11.747 -4.470 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.512 -10.982 -5.999 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -7.873 -13.447 -5.474 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -9.041 -13.150 -6.746 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -6.405 -13.002 -7.267 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.516 -11.888 -8.038 1.00 0.89 H new ATOM 781 N ASN A 45 -5.901 -11.463 -3.702 1.00 0.72 N ATOM 782 CA ASN A 45 -5.241 -11.605 -2.410 1.00 0.77 C ATOM 783 C ASN A 45 -4.467 -10.338 -2.074 1.00 0.71 C ATOM 784 O ASN A 45 -4.392 -9.926 -0.916 1.00 0.85 O ATOM 785 CB ASN A 45 -4.286 -12.802 -2.433 1.00 0.87 C ATOM 786 CG ASN A 45 -5.010 -14.125 -2.575 1.00 1.41 C ATOM 787 OD1 ASN A 45 -6.107 -14.310 -2.048 1.00 2.21 O ATOM 788 ND2 ASN A 45 -4.409 -15.054 -3.302 1.00 1.37 N ATOM 0 H ASN A 45 -5.499 -12.039 -4.442 1.00 0.72 H new ATOM 0 HA ASN A 45 -6.002 -11.771 -1.648 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.584 -12.686 -3.259 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -3.699 -12.811 -1.515 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -4.855 -15.961 -3.441 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -3.500 -14.863 -3.723 1.00 1.37 H new ATOM 795 N ASP A 46 -3.922 -9.709 -3.107 1.00 0.61 N ATOM 796 CA ASP A 46 -3.113 -8.510 -2.940 1.00 0.68 C ATOM 797 C ASP A 46 -3.974 -7.261 -3.025 1.00 0.57 C ATOM 798 O ASP A 46 -3.455 -6.160 -3.151 1.00 0.61 O ATOM 799 CB ASP A 46 -2.020 -8.434 -4.013 1.00 0.83 C ATOM 800 CG ASP A 46 -0.965 -9.510 -3.866 1.00 1.22 C ATOM 801 OD1 ASP A 46 -0.182 -9.450 -2.899 1.00 1.90 O ATOM 802 OD2 ASP A 46 -0.905 -10.412 -4.727 1.00 1.38 O ATOM 0 H ASP A 46 -4.027 -10.012 -4.075 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.649 -8.564 -1.955 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -2.480 -8.517 -4.998 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.541 -7.456 -3.966 1.00 0.83 H new ATOM 807 N PHE A 47 -5.288 -7.428 -2.967 1.00 0.53 N ATOM 808 CA PHE A 47 -6.200 -6.298 -3.084 1.00 0.47 C ATOM 809 C PHE A 47 -6.931 -6.039 -1.771 1.00 0.44 C ATOM 810 O PHE A 47 -7.525 -6.944 -1.180 1.00 0.48 O ATOM 811 CB PHE A 47 -7.194 -6.520 -4.229 1.00 0.49 C ATOM 812 CG PHE A 47 -6.636 -6.155 -5.580 1.00 0.51 C ATOM 813 CD1 PHE A 47 -5.439 -6.693 -6.021 1.00 0.79 C ATOM 814 CD2 PHE A 47 -7.298 -5.253 -6.398 1.00 0.78 C ATOM 815 CE1 PHE A 47 -4.915 -6.344 -7.249 1.00 0.85 C ATOM 816 CE2 PHE A 47 -6.776 -4.897 -7.625 1.00 0.80 C ATOM 817 CZ PHE A 47 -5.585 -5.443 -8.052 1.00 0.63 C ATOM 0 H PHE A 47 -5.745 -8.331 -2.840 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.608 -5.412 -3.313 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.498 -7.567 -4.240 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -8.091 -5.930 -4.042 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -4.908 -7.395 -5.395 1.00 0.79 H new ATOM 0 HD2 PHE A 47 -8.234 -4.824 -6.071 1.00 0.78 H new ATOM 0 HE1 PHE A 47 -3.982 -6.775 -7.581 1.00 0.85 H new ATOM 0 HE2 PHE A 47 -7.301 -4.190 -8.251 1.00 0.80 H new ATOM 0 HZ PHE A 47 -5.177 -5.167 -9.013 1.00 0.63 H new ATOM 827 N GLY A 48 -6.847 -4.798 -1.308 1.00 0.42 N ATOM 828 CA GLY A 48 -7.488 -4.412 -0.068 1.00 0.41 C ATOM 829 C GLY A 48 -8.128 -3.043 -0.145 1.00 0.35 C ATOM 830 O GLY A 48 -8.144 -2.415 -1.203 1.00 0.34 O ATOM 0 H GLY A 48 -6.341 -4.046 -1.776 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -8.248 -5.150 0.189 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.751 -4.420 0.735 1.00 0.41 H new ATOM 834 N LEU A 49 -8.633 -2.566 0.985 1.00 0.31 N ATOM 835 CA LEU A 49 -9.364 -1.310 1.019 1.00 0.28 C ATOM 836 C LEU A 49 -8.510 -0.177 1.585 1.00 0.29 C ATOM 837 O LEU A 49 -8.069 -0.219 2.731 1.00 0.31 O ATOM 838 CB LEU A 49 -10.646 -1.469 1.841 1.00 0.26 C ATOM 839 CG LEU A 49 -11.615 -2.544 1.336 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.840 -2.620 2.230 1.00 0.27 C ATOM 841 CD2 LEU A 49 -12.022 -2.269 -0.102 1.00 0.25 C ATOM 0 H LEU A 49 -8.549 -3.031 1.889 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.625 -1.048 -0.006 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.372 -1.703 2.870 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -11.168 -0.512 1.860 1.00 0.26 H new ATOM 0 HG LEU A 49 -11.104 -3.506 1.368 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.516 -3.388 1.856 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.534 -2.869 3.246 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.350 -1.657 2.231 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.710 -3.044 -0.440 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.512 -1.297 -0.162 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -11.136 -2.268 -0.737 1.00 0.25 H new ATOM 853 N PHE A 50 -8.251 0.802 0.745 1.00 0.29 N ATOM 854 CA PHE A 50 -7.579 2.026 1.155 1.00 0.30 C ATOM 855 C PHE A 50 -8.599 3.152 1.275 1.00 0.30 C ATOM 856 O PHE A 50 -9.358 3.413 0.351 1.00 0.31 O ATOM 857 CB PHE A 50 -6.478 2.392 0.152 1.00 0.34 C ATOM 858 CG PHE A 50 -5.799 3.708 0.427 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.809 3.817 1.397 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.149 4.839 -0.294 1.00 0.36 C ATOM 861 CE1 PHE A 50 -4.189 5.027 1.636 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.531 6.050 -0.055 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.550 6.145 0.910 1.00 0.37 C ATOM 0 H PHE A 50 -8.499 0.776 -0.244 1.00 0.29 H new ATOM 0 HA PHE A 50 -7.110 1.871 2.127 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.727 1.602 0.151 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -6.910 2.422 -0.848 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.522 2.947 1.969 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -6.915 4.772 -1.052 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -3.421 5.099 2.392 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -5.816 6.923 -0.624 1.00 0.38 H new ATOM 0 HZ PHE A 50 -4.065 7.092 1.097 1.00 0.37 H new ATOM 873 N LEU A 51 -8.620 3.812 2.414 1.00 0.30 N ATOM 874 CA LEU A 51 -9.601 4.854 2.648 1.00 0.32 C ATOM 875 C LEU A 51 -9.019 6.204 2.259 1.00 0.36 C ATOM 876 O LEU A 51 -8.046 6.673 2.856 1.00 0.38 O ATOM 877 CB LEU A 51 -10.054 4.847 4.116 1.00 0.33 C ATOM 878 CG LEU A 51 -11.409 5.513 4.408 1.00 0.35 C ATOM 879 CD1 LEU A 51 -11.318 7.031 4.346 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.464 5.012 3.435 1.00 0.41 C ATOM 0 H LEU A 51 -7.975 3.649 3.187 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.479 4.665 2.030 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -10.100 3.812 4.456 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -9.291 5.346 4.713 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.697 5.239 5.423 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -12.296 7.463 4.558 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -10.598 7.383 5.085 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -10.995 7.336 3.351 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.418 5.492 3.654 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -12.162 5.252 2.416 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.569 3.932 3.537 1.00 0.41 H new ATOM 892 N SER A 52 -9.608 6.806 1.239 1.00 0.42 N ATOM 893 CA SER A 52 -9.192 8.115 0.776 1.00 0.53 C ATOM 894 C SER A 52 -9.827 9.193 1.646 1.00 0.61 C ATOM 895 O SER A 52 -10.961 9.613 1.408 1.00 0.93 O ATOM 896 CB SER A 52 -9.596 8.303 -0.688 1.00 0.67 C ATOM 897 OG SER A 52 -9.171 7.204 -1.479 1.00 1.28 O ATOM 0 H SER A 52 -10.383 6.402 0.713 1.00 0.42 H new ATOM 0 HA SER A 52 -8.108 8.197 0.850 1.00 0.53 H new ATOM 0 HB2 SER A 52 -10.678 8.410 -0.759 1.00 0.67 H new ATOM 0 HB3 SER A 52 -9.159 9.224 -1.074 1.00 0.67 H new ATOM 0 HG SER A 52 -9.442 7.347 -2.410 1.00 1.28 H new ATOM 903 N ASP A 53 -9.106 9.607 2.675 1.00 0.74 N ATOM 904 CA ASP A 53 -9.616 10.586 3.624 1.00 0.90 C ATOM 905 C ASP A 53 -9.608 11.976 3.014 1.00 1.04 C ATOM 906 O ASP A 53 -10.622 12.680 3.026 1.00 1.28 O ATOM 907 CB ASP A 53 -8.774 10.590 4.901 1.00 0.89 C ATOM 908 CG ASP A 53 -9.315 11.550 5.945 1.00 1.18 C ATOM 909 OD1 ASP A 53 -10.301 11.200 6.626 1.00 1.42 O ATOM 910 OD2 ASP A 53 -8.762 12.661 6.077 1.00 1.24 O ATOM 0 H ASP A 53 -8.161 9.279 2.876 1.00 0.74 H new ATOM 0 HA ASP A 53 -10.641 10.308 3.872 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.745 9.583 5.317 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.748 10.864 4.656 1.00 0.89 H new ATOM 915 N ASP A 54 -8.464 12.355 2.458 1.00 0.93 N ATOM 916 CA ASP A 54 -8.269 13.709 1.945 1.00 1.10 C ATOM 917 C ASP A 54 -6.888 13.860 1.331 1.00 1.02 C ATOM 918 O ASP A 54 -6.722 14.491 0.289 1.00 1.22 O ATOM 919 CB ASP A 54 -8.435 14.732 3.073 1.00 1.26 C ATOM 920 CG ASP A 54 -8.163 16.151 2.623 1.00 1.47 C ATOM 921 OD1 ASP A 54 -9.027 16.740 1.935 1.00 1.73 O ATOM 922 OD2 ASP A 54 -7.079 16.682 2.942 1.00 1.45 O ATOM 0 H ASP A 54 -7.655 11.744 2.350 1.00 0.93 H new ATOM 0 HA ASP A 54 -9.020 13.889 1.176 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -9.449 14.669 3.468 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -7.759 14.479 3.889 1.00 1.26 H new ATOM 927 N ASP A 55 -5.904 13.263 1.980 1.00 0.87 N ATOM 928 CA ASP A 55 -4.508 13.430 1.594 1.00 0.94 C ATOM 929 C ASP A 55 -3.748 12.130 1.826 1.00 0.87 C ATOM 930 O ASP A 55 -4.101 11.378 2.729 1.00 0.71 O ATOM 931 CB ASP A 55 -3.891 14.556 2.428 1.00 0.99 C ATOM 932 CG ASP A 55 -2.447 14.839 2.076 1.00 1.39 C ATOM 933 OD1 ASP A 55 -2.200 15.667 1.181 1.00 1.58 O ATOM 934 OD2 ASP A 55 -1.552 14.238 2.701 1.00 1.79 O ATOM 0 H ASP A 55 -6.045 12.652 2.785 1.00 0.87 H new ATOM 0 HA ASP A 55 -4.447 13.686 0.536 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -4.477 15.465 2.289 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -3.956 14.294 3.484 1.00 0.99 H new ATOM 939 N PRO A 56 -2.724 11.829 1.008 1.00 1.06 N ATOM 940 CA PRO A 56 -1.867 10.649 1.185 1.00 1.08 C ATOM 941 C PRO A 56 -1.407 10.438 2.633 1.00 0.98 C ATOM 942 O PRO A 56 -1.296 9.300 3.090 1.00 0.97 O ATOM 943 CB PRO A 56 -0.658 10.929 0.277 1.00 1.35 C ATOM 944 CG PRO A 56 -0.862 12.301 -0.283 1.00 1.48 C ATOM 945 CD PRO A 56 -2.333 12.584 -0.186 1.00 1.33 C ATOM 0 HA PRO A 56 -2.408 9.737 0.934 1.00 1.08 H new ATOM 0 HB2 PRO A 56 0.273 10.874 0.841 1.00 1.35 H new ATOM 0 HB3 PRO A 56 -0.591 10.189 -0.521 1.00 1.35 H new ATOM 0 HG2 PRO A 56 -0.287 13.038 0.277 1.00 1.48 H new ATOM 0 HG3 PRO A 56 -0.524 12.352 -1.318 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -2.535 13.650 -0.076 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -2.870 12.248 -1.073 1.00 1.33 H new ATOM 953 N LYS A 57 -1.154 11.531 3.357 1.00 0.99 N ATOM 954 CA LYS A 57 -0.716 11.441 4.752 1.00 1.02 C ATOM 955 C LYS A 57 -1.861 10.976 5.649 1.00 0.82 C ATOM 956 O LYS A 57 -1.645 10.321 6.668 1.00 0.87 O ATOM 957 CB LYS A 57 -0.199 12.796 5.251 1.00 1.25 C ATOM 958 CG LYS A 57 0.870 13.424 4.366 1.00 1.51 C ATOM 959 CD LYS A 57 2.112 12.557 4.275 1.00 1.62 C ATOM 960 CE LYS A 57 2.795 12.409 5.625 1.00 2.08 C ATOM 961 NZ LYS A 57 3.307 13.702 6.145 1.00 2.93 N ATOM 0 H LYS A 57 -1.244 12.483 3.003 1.00 0.99 H new ATOM 0 HA LYS A 57 0.094 10.713 4.797 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -1.039 13.485 5.330 1.00 1.25 H new ATOM 0 HB3 LYS A 57 0.206 12.670 6.255 1.00 1.25 H new ATOM 0 HG2 LYS A 57 0.465 13.584 3.367 1.00 1.51 H new ATOM 0 HG3 LYS A 57 1.139 14.403 4.762 1.00 1.51 H new ATOM 0 HD2 LYS A 57 1.841 11.572 3.894 1.00 1.62 H new ATOM 0 HD3 LYS A 57 2.809 12.994 3.560 1.00 1.62 H new ATOM 0 HE2 LYS A 57 2.091 11.986 6.341 1.00 2.08 H new ATOM 0 HE3 LYS A 57 3.621 11.704 5.536 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 3.921 13.527 6.966 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 3.852 14.184 5.402 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 2.507 14.302 6.432 1.00 2.93 H new ATOM 975 N LYS A 58 -3.078 11.315 5.248 1.00 0.69 N ATOM 976 CA LYS A 58 -4.275 10.985 6.011 1.00 0.65 C ATOM 977 C LYS A 58 -4.858 9.667 5.522 1.00 0.56 C ATOM 978 O LYS A 58 -5.796 9.125 6.108 1.00 0.63 O ATOM 979 CB LYS A 58 -5.302 12.107 5.849 1.00 0.73 C ATOM 980 CG LYS A 58 -4.770 13.466 6.271 1.00 0.94 C ATOM 981 CD LYS A 58 -5.526 14.605 5.605 1.00 1.24 C ATOM 982 CE LYS A 58 -4.853 15.942 5.881 1.00 1.55 C ATOM 983 NZ LYS A 58 -5.453 17.049 5.092 1.00 2.16 N ATOM 0 H LYS A 58 -3.264 11.826 4.385 1.00 0.69 H new ATOM 0 HA LYS A 58 -4.017 10.881 7.065 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.618 12.155 4.807 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -6.187 11.870 6.440 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -4.846 13.565 7.354 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -3.712 13.536 6.018 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -5.575 14.434 4.530 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -6.552 14.628 5.971 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -4.930 16.173 6.943 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -3.791 15.867 5.648 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -4.702 17.561 4.586 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -6.129 16.659 4.405 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -5.948 17.703 5.732 1.00 2.16 H new ATOM 997 N GLY A 59 -4.301 9.173 4.422 1.00 0.54 N ATOM 998 CA GLY A 59 -4.744 7.920 3.854 1.00 0.59 C ATOM 999 C GLY A 59 -4.467 6.745 4.766 1.00 0.54 C ATOM 1000 O GLY A 59 -3.375 6.622 5.327 1.00 0.58 O ATOM 0 H GLY A 59 -3.543 9.626 3.911 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -5.813 7.974 3.650 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -4.245 7.761 2.898 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.439 5.860 4.892 1.00 0.49 N ATOM 1005 CA ILE A 60 -5.335 4.747 5.819 1.00 0.47 C ATOM 1006 C ILE A 60 -5.681 3.437 5.133 1.00 0.42 C ATOM 1007 O ILE A 60 -6.552 3.390 4.262 1.00 0.41 O ATOM 1008 CB ILE A 60 -6.258 4.931 7.045 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.680 5.276 6.592 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -5.708 6.005 7.973 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -8.681 5.349 7.723 1.00 0.65 C ATOM 0 H ILE A 60 -6.311 5.890 4.363 1.00 0.49 H new ATOM 0 HA ILE A 60 -4.301 4.721 6.161 1.00 0.47 H new ATOM 0 HB ILE A 60 -6.293 3.993 7.599 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -7.663 6.234 6.072 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -8.013 4.528 5.872 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -6.372 6.120 8.830 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -4.716 5.714 8.319 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -5.642 6.951 7.436 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -9.664 5.598 7.323 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -8.728 4.385 8.230 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -8.373 6.117 8.433 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.984 2.381 5.515 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.282 1.057 5.004 1.00 0.40 C ATOM 1025 C TRP A 61 -6.278 0.362 5.912 1.00 0.40 C ATOM 1026 O TRP A 61 -6.046 0.207 7.111 1.00 0.48 O ATOM 1027 CB TRP A 61 -4.011 0.221 4.867 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.186 0.601 3.679 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -2.127 1.460 3.652 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.357 0.132 2.339 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.628 1.553 2.377 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.366 0.748 1.552 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.253 -0.750 1.728 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.246 0.509 0.189 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.131 -0.985 0.374 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.135 -0.358 -0.383 1.00 0.48 C ATOM 0 H TRP A 61 -4.209 2.416 6.177 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.721 1.164 4.012 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.411 0.332 5.770 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.282 -0.832 4.792 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.738 1.990 4.509 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -0.836 2.128 2.091 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.025 -1.238 2.304 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.478 0.991 -0.398 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -4.816 -1.665 -0.110 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -3.067 -0.563 -1.441 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.391 -0.037 5.333 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.450 -0.689 6.073 1.00 0.37 C ATOM 1049 C LEU A 62 -8.169 -2.177 6.187 1.00 0.42 C ATOM 1050 O LEU A 62 -8.177 -2.893 5.183 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.791 -0.467 5.370 1.00 0.33 C ATOM 1052 CG LEU A 62 -10.167 0.995 5.125 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.433 1.088 4.299 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -10.357 1.718 6.439 1.00 0.35 C ATOM 0 H LEU A 62 -7.586 0.081 4.339 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.495 -0.260 7.074 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.770 -0.985 4.411 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.576 -0.932 5.966 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.354 1.468 4.575 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.684 2.136 4.135 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.277 0.598 3.338 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -12.250 0.597 4.828 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.624 2.757 6.247 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -11.154 1.237 7.007 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -9.430 1.681 7.012 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.893 -2.639 7.396 1.00 0.48 N ATOM 1067 CA GLU A 63 -7.675 -4.058 7.626 1.00 0.55 C ATOM 1068 C GLU A 63 -9.008 -4.773 7.820 1.00 0.52 C ATOM 1069 O GLU A 63 -10.022 -4.145 8.145 1.00 0.48 O ATOM 1070 CB GLU A 63 -6.773 -4.285 8.842 1.00 0.65 C ATOM 1071 CG GLU A 63 -7.414 -3.912 10.169 1.00 0.68 C ATOM 1072 CD GLU A 63 -6.561 -4.311 11.355 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -6.302 -5.519 11.531 1.00 1.42 O ATOM 1074 OE2 GLU A 63 -6.145 -3.415 12.123 1.00 1.30 O ATOM 0 H GLU A 63 -7.815 -2.056 8.229 1.00 0.48 H new ATOM 0 HA GLU A 63 -7.176 -4.470 6.749 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -6.482 -5.335 8.874 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -5.859 -3.704 8.716 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -7.588 -2.836 10.196 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -8.388 -4.394 10.247 1.00 0.68 H new ATOM 1081 N ALA A 64 -9.007 -6.082 7.628 1.00 0.58 N ATOM 1082 CA ALA A 64 -10.222 -6.874 7.752 1.00 0.58 C ATOM 1083 C ALA A 64 -10.587 -7.093 9.214 1.00 0.60 C ATOM 1084 O ALA A 64 -11.678 -7.565 9.526 1.00 0.65 O ATOM 1085 CB ALA A 64 -10.057 -8.204 7.034 1.00 0.64 C ATOM 0 H ALA A 64 -8.176 -6.621 7.385 1.00 0.58 H new ATOM 0 HA ALA A 64 -11.038 -6.323 7.285 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -10.972 -8.787 7.134 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -9.854 -8.025 5.978 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -9.226 -8.755 7.475 1.00 0.64 H new ATOM 1091 N GLY A 65 -9.675 -6.729 10.106 1.00 0.64 N ATOM 1092 CA GLY A 65 -9.904 -6.913 11.527 1.00 0.70 C ATOM 1093 C GLY A 65 -10.903 -5.931 12.102 1.00 0.70 C ATOM 1094 O GLY A 65 -11.429 -6.149 13.195 1.00 0.84 O ATOM 0 H GLY A 65 -8.777 -6.308 9.870 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -10.260 -7.928 11.703 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -8.957 -6.811 12.057 1.00 0.70 H new ATOM 1098 N LYS A 66 -11.169 -4.851 11.381 1.00 0.60 N ATOM 1099 CA LYS A 66 -12.160 -3.885 11.826 1.00 0.61 C ATOM 1100 C LYS A 66 -13.184 -3.639 10.723 1.00 0.54 C ATOM 1101 O LYS A 66 -12.926 -3.917 9.543 1.00 0.47 O ATOM 1102 CB LYS A 66 -11.500 -2.562 12.255 1.00 0.66 C ATOM 1103 CG LYS A 66 -11.476 -1.482 11.181 1.00 0.60 C ATOM 1104 CD LYS A 66 -10.462 -1.764 10.088 1.00 0.56 C ATOM 1105 CE LYS A 66 -10.830 -1.045 8.797 1.00 0.61 C ATOM 1106 NZ LYS A 66 -12.023 -1.646 8.161 1.00 1.29 N ATOM 0 H LYS A 66 -10.717 -4.624 10.495 1.00 0.60 H new ATOM 0 HA LYS A 66 -12.669 -4.298 12.697 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -12.027 -2.175 13.127 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -10.476 -2.768 12.567 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -12.468 -1.395 10.737 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -11.248 -0.521 11.643 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -9.472 -1.445 10.415 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -10.408 -2.837 9.907 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -11.020 0.007 9.007 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -9.989 -1.085 8.105 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -11.990 -1.481 7.135 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -12.037 -2.669 8.347 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -12.882 -1.211 8.554 1.00 1.29 H new ATOM 1120 N ALA A 67 -14.332 -3.103 11.095 1.00 0.57 N ATOM 1121 CA ALA A 67 -15.375 -2.807 10.134 1.00 0.52 C ATOM 1122 C ALA A 67 -15.125 -1.451 9.489 1.00 0.47 C ATOM 1123 O ALA A 67 -14.098 -0.819 9.727 1.00 0.47 O ATOM 1124 CB ALA A 67 -16.739 -2.848 10.805 1.00 0.59 C ATOM 0 H ALA A 67 -14.565 -2.864 12.059 1.00 0.57 H new ATOM 0 HA ALA A 67 -15.360 -3.565 9.351 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -17.513 -2.624 10.071 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -16.910 -3.841 11.221 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -16.773 -2.109 11.605 1.00 0.59 H new ATOM 1130 N LEU A 68 -16.044 -1.010 8.657 1.00 0.45 N ATOM 1131 CA LEU A 68 -15.868 0.241 7.936 1.00 0.40 C ATOM 1132 C LEU A 68 -16.320 1.417 8.792 1.00 0.43 C ATOM 1133 O LEU A 68 -15.578 2.375 9.000 1.00 0.44 O ATOM 1134 CB LEU A 68 -16.660 0.207 6.638 1.00 0.37 C ATOM 1135 CG LEU A 68 -16.296 -0.932 5.685 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -17.199 -0.917 4.463 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.837 -0.833 5.274 1.00 0.37 C ATOM 0 H LEU A 68 -16.920 -1.495 8.461 1.00 0.45 H new ATOM 0 HA LEU A 68 -14.810 0.365 7.706 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -17.720 0.133 6.879 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.517 1.154 6.118 1.00 0.37 H new ATOM 0 HG LEU A 68 -16.444 -1.878 6.206 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -16.924 -1.735 3.797 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -18.236 -1.037 4.776 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -17.085 0.032 3.938 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.594 -1.651 4.596 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -14.664 0.119 4.771 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -14.204 -0.896 6.159 1.00 0.37 H new ATOM 1149 N ASP A 69 -17.526 1.295 9.320 1.00 0.47 N ATOM 1150 CA ASP A 69 -18.151 2.344 10.129 1.00 0.52 C ATOM 1151 C ASP A 69 -17.463 2.461 11.486 1.00 0.58 C ATOM 1152 O ASP A 69 -17.702 3.400 12.246 1.00 0.65 O ATOM 1153 CB ASP A 69 -19.642 2.041 10.301 1.00 0.58 C ATOM 1154 CG ASP A 69 -20.353 2.998 11.238 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -20.360 4.214 10.953 1.00 1.14 O ATOM 1156 OD2 ASP A 69 -20.874 2.550 12.280 1.00 1.16 O ATOM 0 H ASP A 69 -18.107 0.465 9.203 1.00 0.47 H new ATOM 0 HA ASP A 69 -18.041 3.300 9.616 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -20.126 2.075 9.325 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -19.756 1.025 10.678 1.00 0.58 H new ATOM 1161 N TYR A 70 -16.611 1.488 11.780 1.00 0.59 N ATOM 1162 CA TYR A 70 -15.745 1.542 12.938 1.00 0.65 C ATOM 1163 C TYR A 70 -14.899 2.812 12.889 1.00 0.62 C ATOM 1164 O TYR A 70 -14.638 3.446 13.912 1.00 0.67 O ATOM 1165 CB TYR A 70 -14.857 0.300 12.954 1.00 0.69 C ATOM 1166 CG TYR A 70 -13.870 0.280 14.085 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -14.274 -0.032 15.369 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -12.535 0.570 13.864 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -13.375 -0.057 16.412 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -11.623 0.547 14.898 1.00 1.05 C ATOM 1171 CZ TYR A 70 -12.048 0.253 16.174 1.00 1.22 C ATOM 1172 OH TYR A 70 -11.139 0.208 17.212 1.00 1.45 O ATOM 0 H TYR A 70 -16.505 0.642 11.220 1.00 0.59 H new ATOM 0 HA TYR A 70 -16.341 1.563 13.850 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -15.488 -0.586 13.018 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -14.316 0.239 12.010 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -15.313 -0.260 15.558 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -12.203 0.818 12.867 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -13.703 -0.317 17.408 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -10.581 0.758 14.708 1.00 1.05 H new ATOM 0 HH TYR A 70 -10.250 0.452 16.879 1.00 1.45 H new ATOM 1182 N TYR A 71 -14.458 3.157 11.684 1.00 0.57 N ATOM 1183 CA TYR A 71 -13.809 4.433 11.432 1.00 0.58 C ATOM 1184 C TYR A 71 -14.860 5.532 11.284 1.00 0.60 C ATOM 1185 O TYR A 71 -15.914 5.483 11.913 1.00 0.69 O ATOM 1186 CB TYR A 71 -12.929 4.344 10.181 1.00 0.56 C ATOM 1187 CG TYR A 71 -11.583 3.700 10.437 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -11.442 2.317 10.413 1.00 0.62 C ATOM 1189 CD2 TYR A 71 -10.457 4.467 10.700 1.00 0.58 C ATOM 1190 CE1 TYR A 71 -10.217 1.720 10.644 1.00 0.66 C ATOM 1191 CE2 TYR A 71 -9.230 3.875 10.931 1.00 0.63 C ATOM 1192 CZ TYR A 71 -9.104 2.529 10.909 1.00 0.65 C ATOM 1193 OH TYR A 71 -7.891 1.920 11.140 1.00 0.72 O ATOM 0 H TYR A 71 -14.541 2.562 10.860 1.00 0.57 H new ATOM 0 HA TYR A 71 -13.168 4.681 12.278 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -13.456 3.775 9.415 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -12.774 5.347 9.783 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -12.304 1.699 10.210 1.00 0.62 H new ATOM 0 HD2 TYR A 71 -10.541 5.543 10.725 1.00 0.58 H new ATOM 0 HE1 TYR A 71 -10.119 0.645 10.621 1.00 0.66 H new ATOM 0 HE2 TYR A 71 -8.366 4.491 11.130 1.00 0.63 H new ATOM 0 HH TYR A 71 -7.209 2.603 11.308 1.00 0.72 H new ATOM 1203 N MET A 72 -14.583 6.520 10.453 1.00 0.60 N ATOM 1204 CA MET A 72 -15.502 7.634 10.270 1.00 0.69 C ATOM 1205 C MET A 72 -16.174 7.575 8.903 1.00 0.63 C ATOM 1206 O MET A 72 -16.476 8.612 8.311 1.00 0.75 O ATOM 1207 CB MET A 72 -14.748 8.955 10.417 1.00 0.83 C ATOM 1208 CG MET A 72 -14.183 9.187 11.809 1.00 1.02 C ATOM 1209 SD MET A 72 -13.168 10.677 11.912 1.00 1.73 S ATOM 1210 CE MET A 72 -14.349 11.929 11.413 1.00 2.38 C ATOM 0 H MET A 72 -13.732 6.576 9.894 1.00 0.60 H new ATOM 0 HA MET A 72 -16.276 7.566 11.034 1.00 0.69 H new ATOM 0 HB2 MET A 72 -13.932 8.979 9.695 1.00 0.83 H new ATOM 0 HB3 MET A 72 -15.420 9.776 10.166 1.00 0.83 H new ATOM 0 HG2 MET A 72 -15.004 9.262 12.522 1.00 1.02 H new ATOM 0 HG3 MET A 72 -13.585 8.324 12.102 1.00 1.02 H new ATOM 0 HE1 MET A 72 -13.975 12.914 11.692 1.00 2.38 H new ATOM 0 HE2 MET A 72 -14.489 11.887 10.333 1.00 2.38 H new ATOM 0 HE3 MET A 72 -15.302 11.749 11.910 1.00 2.38 H new ATOM 1220 N LEU A 73 -16.422 6.369 8.401 1.00 0.56 N ATOM 1221 CA LEU A 73 -17.016 6.222 7.077 1.00 0.54 C ATOM 1222 C LEU A 73 -18.511 6.054 7.182 1.00 0.50 C ATOM 1223 O LEU A 73 -19.013 5.378 8.081 1.00 0.60 O ATOM 1224 CB LEU A 73 -16.464 5.022 6.305 1.00 0.71 C ATOM 1225 CG LEU A 73 -15.113 4.468 6.746 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -14.738 3.309 5.850 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -14.035 5.531 6.706 1.00 0.88 C ATOM 0 H LEU A 73 -16.224 5.492 8.882 1.00 0.56 H new ATOM 0 HA LEU A 73 -16.760 7.133 6.535 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -17.195 4.216 6.366 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -16.387 5.303 5.255 1.00 0.71 H new ATOM 0 HG LEU A 73 -15.197 4.128 7.778 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -13.773 2.908 6.159 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -15.496 2.530 5.926 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -14.674 3.653 4.818 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -13.087 5.100 7.027 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -13.936 5.910 5.689 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -14.306 6.349 7.374 1.00 0.88 H new ATOM 1239 N ARG A 74 -19.207 6.664 6.243 1.00 0.48 N ATOM 1240 CA ARG A 74 -20.656 6.573 6.149 1.00 0.52 C ATOM 1241 C ARG A 74 -21.076 6.792 4.696 1.00 0.46 C ATOM 1242 O ARG A 74 -20.343 6.439 3.775 1.00 0.45 O ATOM 1243 CB ARG A 74 -21.345 7.599 7.056 1.00 0.65 C ATOM 1244 CG ARG A 74 -20.962 7.515 8.516 1.00 1.17 C ATOM 1245 CD ARG A 74 -21.168 8.847 9.196 1.00 1.64 C ATOM 1246 NE ARG A 74 -20.312 9.887 8.624 1.00 2.05 N ATOM 1247 CZ ARG A 74 -20.022 11.041 9.218 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -20.565 11.355 10.388 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -19.194 11.889 8.624 1.00 3.29 N ATOM 0 H ARG A 74 -18.783 7.242 5.517 1.00 0.48 H new ATOM 0 HA ARG A 74 -20.964 5.582 6.483 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -21.112 8.599 6.691 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -22.424 7.472 6.970 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -21.561 6.751 9.011 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -19.919 7.211 8.607 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -22.213 9.145 9.104 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -20.958 8.748 10.261 1.00 1.64 H new ATOM 0 HE ARG A 74 -19.909 9.714 7.703 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -21.212 10.708 10.840 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -20.336 12.243 10.835 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -18.786 11.654 7.719 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -18.965 12.777 9.072 1.00 3.29 H new ATOM 1263 N ASN A 75 -22.246 7.375 4.491 1.00 0.49 N ATOM 1264 CA ASN A 75 -22.759 7.610 3.147 1.00 0.47 C ATOM 1265 C ASN A 75 -22.092 8.829 2.525 1.00 0.48 C ATOM 1266 O ASN A 75 -22.409 9.969 2.874 1.00 0.56 O ATOM 1267 CB ASN A 75 -24.282 7.810 3.160 1.00 0.52 C ATOM 1268 CG ASN A 75 -25.065 6.527 3.390 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -26.182 6.373 2.892 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -24.502 5.603 4.154 1.00 0.51 N ATOM 0 H ASN A 75 -22.861 7.696 5.239 1.00 0.49 H new ATOM 0 HA ASN A 75 -22.528 6.728 2.549 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -24.539 8.527 3.940 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -24.590 8.248 2.211 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -24.995 4.731 4.346 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -23.576 5.764 4.550 1.00 0.51 H new ATOM 1277 N GLY A 76 -21.156 8.589 1.618 1.00 0.45 N ATOM 1278 CA GLY A 76 -20.509 9.683 0.923 1.00 0.51 C ATOM 1279 C GLY A 76 -19.003 9.709 1.103 1.00 0.47 C ATOM 1280 O GLY A 76 -18.358 10.713 0.797 1.00 0.55 O ATOM 0 H GLY A 76 -20.834 7.659 1.351 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -20.739 9.614 -0.140 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -20.926 10.626 1.278 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.429 8.623 1.604 1.00 0.42 N ATOM 1285 CA ASP A 77 -16.978 8.538 1.741 1.00 0.42 C ATOM 1286 C ASP A 77 -16.377 7.760 0.582 1.00 0.38 C ATOM 1287 O ASP A 77 -16.941 6.762 0.131 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.581 7.883 3.066 1.00 0.44 C ATOM 1289 CG ASP A 77 -16.858 8.773 4.260 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -16.038 9.676 4.542 1.00 1.05 O ATOM 1291 OD2 ASP A 77 -17.896 8.583 4.916 1.00 1.00 O ATOM 0 H ASP A 77 -18.937 7.797 1.919 1.00 0.42 H new ATOM 0 HA ASP A 77 -16.587 9.555 1.730 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -17.126 6.946 3.182 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -15.520 7.634 3.041 1.00 0.44 H new ATOM 1296 N THR A 78 -15.249 8.234 0.080 1.00 0.36 N ATOM 1297 CA THR A 78 -14.549 7.556 -0.993 1.00 0.35 C ATOM 1298 C THR A 78 -13.600 6.504 -0.427 1.00 0.31 C ATOM 1299 O THR A 78 -12.801 6.788 0.469 1.00 0.34 O ATOM 1300 CB THR A 78 -13.760 8.561 -1.857 1.00 0.42 C ATOM 1301 OG1 THR A 78 -14.637 9.601 -2.317 1.00 0.50 O ATOM 1302 CG2 THR A 78 -13.119 7.877 -3.057 1.00 0.42 C ATOM 0 H THR A 78 -14.798 9.090 0.402 1.00 0.36 H new ATOM 0 HA THR A 78 -15.292 7.065 -1.622 1.00 0.35 H new ATOM 0 HB THR A 78 -12.969 8.986 -1.239 1.00 0.42 H new ATOM 0 HG1 THR A 78 -14.131 10.238 -2.864 1.00 0.50 H new ATOM 0 HG21 THR A 78 -12.571 8.613 -3.645 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.433 7.104 -2.711 1.00 0.42 H new ATOM 0 HG23 THR A 78 -13.894 7.424 -3.675 1.00 0.42 H new ATOM 1310 N MET A 79 -13.692 5.294 -0.950 1.00 0.27 N ATOM 1311 CA MET A 79 -12.860 4.200 -0.490 1.00 0.27 C ATOM 1312 C MET A 79 -12.212 3.514 -1.681 1.00 0.28 C ATOM 1313 O MET A 79 -12.886 2.894 -2.498 1.00 0.27 O ATOM 1314 CB MET A 79 -13.683 3.192 0.312 1.00 0.23 C ATOM 1315 CG MET A 79 -12.832 2.176 1.054 1.00 0.27 C ATOM 1316 SD MET A 79 -13.816 0.960 1.947 1.00 0.65 S ATOM 1317 CE MET A 79 -14.550 0.067 0.585 1.00 0.24 C ATOM 0 H MET A 79 -14.339 5.045 -1.698 1.00 0.27 H new ATOM 0 HA MET A 79 -12.085 4.603 0.162 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.303 3.729 1.029 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.358 2.666 -0.363 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.185 1.662 0.343 1.00 0.27 H new ATOM 0 HG3 MET A 79 -12.182 2.697 1.757 1.00 0.27 H new ATOM 0 HE1 MET A 79 -14.629 -0.989 0.843 1.00 0.24 H new ATOM 0 HE2 MET A 79 -15.544 0.466 0.382 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.926 0.178 -0.302 1.00 0.24 H new ATOM 1327 N GLU A 80 -10.908 3.642 -1.772 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.166 3.093 -2.886 1.00 0.35 C ATOM 1329 C GLU A 80 -10.009 1.586 -2.712 1.00 0.33 C ATOM 1330 O GLU A 80 -9.522 1.124 -1.679 1.00 0.33 O ATOM 1331 CB GLU A 80 -8.788 3.766 -2.947 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.091 3.636 -4.288 1.00 0.53 C ATOM 1333 CD GLU A 80 -6.777 4.389 -4.346 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -6.797 5.635 -4.306 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -5.714 3.739 -4.404 1.00 1.04 O ATOM 0 H GLU A 80 -10.334 4.126 -1.082 1.00 0.32 H new ATOM 0 HA GLU A 80 -10.703 3.280 -3.816 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -8.902 4.824 -2.711 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.151 3.334 -2.176 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -7.909 2.582 -4.496 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -8.751 4.007 -5.072 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.413 0.811 -3.710 1.00 0.33 N ATOM 1343 CA TYR A 81 -10.157 -0.616 -3.696 1.00 0.33 C ATOM 1344 C TYR A 81 -8.950 -0.871 -4.565 1.00 0.36 C ATOM 1345 O TYR A 81 -9.035 -0.843 -5.793 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.364 -1.413 -4.208 1.00 0.33 C ATOM 1347 CG TYR A 81 -11.151 -2.915 -4.195 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -11.370 -3.661 -3.044 1.00 0.34 C ATOM 1349 CD2 TYR A 81 -10.738 -3.585 -5.338 1.00 0.37 C ATOM 1350 CE1 TYR A 81 -11.181 -5.030 -3.035 1.00 0.36 C ATOM 1351 CE2 TYR A 81 -10.552 -4.953 -5.338 1.00 0.39 C ATOM 1352 CZ TYR A 81 -10.745 -5.666 -4.159 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.589 -7.034 -4.182 1.00 0.42 O ATOM 0 H TYR A 81 -10.915 1.147 -4.532 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.975 -0.945 -2.673 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.233 -1.173 -3.596 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.593 -1.096 -5.225 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -11.693 -3.163 -2.142 1.00 0.34 H new ATOM 0 HD2 TYR A 81 -10.559 -3.026 -6.244 1.00 0.37 H new ATOM 0 HE1 TYR A 81 -11.379 -5.596 -2.137 1.00 0.36 H new ATOM 0 HE2 TYR A 81 -10.260 -5.464 -6.243 1.00 0.39 H new ATOM 0 HH TYR A 81 -10.729 -7.394 -3.281 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.824 -1.082 -3.928 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.567 -1.104 -4.647 1.00 0.39 C ATOM 1365 C ARG A 82 -5.691 -2.267 -4.228 1.00 0.40 C ATOM 1366 O ARG A 82 -5.992 -2.993 -3.278 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.809 0.203 -4.432 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.462 0.474 -2.980 1.00 0.44 C ATOM 1369 CD ARG A 82 -4.416 1.564 -2.863 1.00 0.56 C ATOM 1370 NE ARG A 82 -3.174 1.203 -3.548 1.00 0.65 N ATOM 1371 CZ ARG A 82 -2.573 1.982 -4.446 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -3.144 3.118 -4.829 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -1.425 1.603 -4.994 1.00 1.03 N ATOM 0 H ARG A 82 -7.748 -1.240 -2.923 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.806 -1.224 -5.704 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -4.890 0.181 -5.018 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.410 1.029 -4.813 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.360 0.768 -2.437 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -5.093 -0.440 -2.514 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -4.807 2.490 -3.285 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -4.208 1.756 -1.810 1.00 0.56 H new ATOM 0 HE ARG A 82 -2.745 0.305 -3.325 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -4.043 3.395 -4.436 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -2.683 3.714 -5.517 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -1.002 0.714 -4.728 1.00 1.03 H new ATOM 0 HH22 ARG A 82 -0.966 2.201 -5.681 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.590 -2.417 -4.941 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.571 -3.375 -4.590 1.00 0.45 C ATOM 1389 C LYS A 83 -2.867 -2.897 -3.323 1.00 0.42 C ATOM 1390 O LYS A 83 -2.502 -1.721 -3.220 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.585 -3.508 -5.760 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.566 -4.629 -5.627 1.00 0.60 C ATOM 1393 CD LYS A 83 -0.780 -4.799 -6.915 1.00 0.70 C ATOM 1394 CE LYS A 83 0.104 -6.034 -6.884 1.00 1.25 C ATOM 1395 NZ LYS A 83 -0.689 -7.287 -6.993 1.00 1.74 N ATOM 0 H LYS A 83 -4.382 -1.875 -5.780 1.00 0.43 H new ATOM 0 HA LYS A 83 -4.007 -4.355 -4.397 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.154 -3.663 -6.677 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -2.050 -2.565 -5.872 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -0.884 -4.411 -4.805 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.074 -5.561 -5.380 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -1.471 -4.869 -7.755 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.163 -3.916 -7.083 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.822 -5.987 -7.702 1.00 1.25 H new ATOM 0 HE3 LYS A 83 0.677 -6.047 -5.957 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 -0.406 -7.944 -6.238 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -1.701 -7.067 -6.899 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 -0.516 -7.728 -7.919 1.00 1.74 H new ATOM 1409 N LYS A 84 -2.715 -3.797 -2.352 1.00 0.44 N ATOM 1410 CA LYS A 84 -2.012 -3.496 -1.105 1.00 0.46 C ATOM 1411 C LYS A 84 -0.636 -2.939 -1.404 1.00 0.46 C ATOM 1412 O LYS A 84 -0.103 -2.111 -0.670 1.00 0.52 O ATOM 1413 CB LYS A 84 -1.846 -4.761 -0.255 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.118 -5.265 0.405 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.589 -4.332 1.509 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.631 -5.004 2.388 1.00 0.67 C ATOM 1417 NZ LYS A 84 -5.098 -4.117 3.488 1.00 1.32 N ATOM 0 H LYS A 84 -3.073 -4.750 -2.407 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.605 -2.763 -0.557 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -1.444 -5.554 -0.886 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.106 -4.564 0.521 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -3.902 -5.365 -0.346 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -2.944 -6.258 0.818 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.738 -4.026 2.118 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -4.009 -3.427 1.070 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -5.483 -5.300 1.776 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -4.211 -5.916 2.813 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -5.807 -4.618 4.060 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -4.291 -3.855 4.089 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -5.523 -3.258 3.084 1.00 1.32 H new ATOM 1431 N GLN A 85 -0.080 -3.398 -2.506 1.00 0.44 N ATOM 1432 CA GLN A 85 1.259 -3.046 -2.903 1.00 0.47 C ATOM 1433 C GLN A 85 1.233 -2.007 -4.011 1.00 0.52 C ATOM 1434 O GLN A 85 0.245 -1.876 -4.732 1.00 0.83 O ATOM 1435 CB GLN A 85 1.996 -4.295 -3.393 1.00 0.53 C ATOM 1436 CG GLN A 85 1.224 -5.584 -3.172 1.00 0.50 C ATOM 1437 CD GLN A 85 2.047 -6.818 -3.463 1.00 0.64 C ATOM 1438 OE1 GLN A 85 2.103 -7.290 -4.601 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.663 -7.368 -2.432 1.00 0.72 N ATOM 0 H GLN A 85 -0.552 -4.030 -3.153 1.00 0.44 H new ATOM 0 HA GLN A 85 1.777 -2.627 -2.041 1.00 0.47 H new ATOM 0 HB2 GLN A 85 2.209 -4.187 -4.457 1.00 0.53 H new ATOM 0 HB3 GLN A 85 2.956 -4.364 -2.881 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.875 -5.621 -2.140 1.00 0.50 H new ATOM 0 HG3 GLN A 85 0.339 -5.585 -3.808 1.00 0.50 H new ATOM 0 HE21 GLN A 85 2.589 -6.943 -1.508 1.00 0.72 H new ATOM 0 HE22 GLN A 85 3.213 -8.218 -2.560 1.00 0.72 H new ATOM 1448 N ARG A 86 2.321 -1.278 -4.141 1.00 0.50 N ATOM 1449 CA ARG A 86 2.483 -0.327 -5.225 1.00 0.52 C ATOM 1450 C ARG A 86 3.913 -0.381 -5.747 1.00 0.50 C ATOM 1451 O ARG A 86 4.808 -0.852 -5.041 1.00 0.53 O ATOM 1452 CB ARG A 86 2.078 1.086 -4.784 1.00 0.67 C ATOM 1453 CG ARG A 86 2.402 1.424 -3.344 1.00 0.85 C ATOM 1454 CD ARG A 86 3.875 1.711 -3.128 1.00 0.98 C ATOM 1455 NE ARG A 86 4.062 2.450 -1.891 1.00 1.13 N ATOM 1456 CZ ARG A 86 4.660 3.633 -1.808 1.00 1.24 C ATOM 1457 NH1 ARG A 86 5.307 4.121 -2.854 1.00 1.62 N ATOM 1458 NH2 ARG A 86 4.610 4.320 -0.675 1.00 1.85 N ATOM 0 H ARG A 86 3.115 -1.326 -3.503 1.00 0.50 H new ATOM 0 HA ARG A 86 1.817 -0.599 -6.043 1.00 0.52 H new ATOM 0 HB2 ARG A 86 2.574 1.809 -5.432 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.005 1.205 -4.937 1.00 0.67 H new ATOM 0 HG2 ARG A 86 1.818 2.292 -3.039 1.00 0.85 H new ATOM 0 HG3 ARG A 86 2.100 0.595 -2.704 1.00 0.85 H new ATOM 0 HD2 ARG A 86 4.434 0.776 -3.091 1.00 0.98 H new ATOM 0 HD3 ARG A 86 4.269 2.285 -3.967 1.00 0.98 H new ATOM 0 HE ARG A 86 3.711 2.033 -1.029 1.00 1.13 H new ATOM 0 HH11 ARG A 86 5.346 3.589 -3.723 1.00 1.62 H new ATOM 0 HH12 ARG A 86 5.767 5.029 -2.791 1.00 1.62 H new ATOM 0 HH21 ARG A 86 4.113 3.940 0.130 1.00 1.85 H new ATOM 0 HH22 ARG A 86 5.069 5.229 -0.609 1.00 1.85 H new ATOM 1472 N PRO A 87 4.144 0.074 -6.990 1.00 0.52 N ATOM 1473 CA PRO A 87 5.429 -0.107 -7.674 1.00 0.52 C ATOM 1474 C PRO A 87 6.582 0.627 -6.998 1.00 0.53 C ATOM 1475 O PRO A 87 6.641 1.853 -6.991 1.00 0.62 O ATOM 1476 CB PRO A 87 5.186 0.466 -9.077 1.00 0.57 C ATOM 1477 CG PRO A 87 3.705 0.550 -9.219 1.00 0.86 C ATOM 1478 CD PRO A 87 3.178 0.793 -7.837 1.00 0.60 C ATOM 0 HA PRO A 87 5.727 -1.155 -7.669 1.00 0.52 H new ATOM 0 HB2 PRO A 87 5.647 1.448 -9.186 1.00 0.57 H new ATOM 0 HB3 PRO A 87 5.618 -0.176 -9.844 1.00 0.57 H new ATOM 0 HG2 PRO A 87 3.422 1.358 -9.894 1.00 0.86 H new ATOM 0 HG3 PRO A 87 3.299 -0.371 -9.637 1.00 0.86 H new ATOM 0 HD2 PRO A 87 3.143 1.856 -7.598 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.166 0.406 -7.716 1.00 0.60 H new ATOM 1486 N LEU A 88 7.480 -0.137 -6.404 1.00 0.50 N ATOM 1487 CA LEU A 88 8.698 0.425 -5.850 1.00 0.53 C ATOM 1488 C LEU A 88 9.869 0.126 -6.766 1.00 0.44 C ATOM 1489 O LEU A 88 10.081 -1.023 -7.153 1.00 0.42 O ATOM 1490 CB LEU A 88 8.979 -0.089 -4.450 1.00 0.63 C ATOM 1491 CG LEU A 88 8.741 0.944 -3.353 1.00 0.88 C ATOM 1492 CD1 LEU A 88 7.313 0.879 -2.837 1.00 1.19 C ATOM 1493 CD2 LEU A 88 9.745 0.759 -2.237 1.00 1.51 C ATOM 0 H LEU A 88 7.389 -1.147 -6.293 1.00 0.50 H new ATOM 0 HA LEU A 88 8.560 1.504 -5.776 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.350 -0.958 -4.260 1.00 0.63 H new ATOM 0 HB3 LEU A 88 10.014 -0.427 -4.399 1.00 0.63 H new ATOM 0 HG LEU A 88 8.882 1.939 -3.776 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.174 1.627 -2.056 1.00 1.19 H new ATOM 0 HD12 LEU A 88 6.621 1.076 -3.656 1.00 1.19 H new ATOM 0 HD13 LEU A 88 7.119 -0.113 -2.428 1.00 1.19 H new ATOM 0 HD21 LEU A 88 9.566 1.502 -1.460 1.00 1.51 H new ATOM 0 HD22 LEU A 88 9.640 -0.241 -1.815 1.00 1.51 H new ATOM 0 HD23 LEU A 88 10.754 0.882 -2.631 1.00 1.51 H new ATOM 1505 N LYS A 89 10.624 1.150 -7.118 1.00 0.44 N ATOM 1506 CA LYS A 89 11.795 0.958 -7.951 1.00 0.42 C ATOM 1507 C LYS A 89 13.032 0.857 -7.090 1.00 0.39 C ATOM 1508 O LYS A 89 13.342 1.762 -6.326 1.00 0.42 O ATOM 1509 CB LYS A 89 11.940 2.082 -8.961 1.00 0.51 C ATOM 1510 CG LYS A 89 10.845 2.067 -10.000 1.00 0.69 C ATOM 1511 CD LYS A 89 11.236 2.867 -11.218 1.00 0.93 C ATOM 1512 CE LYS A 89 11.414 4.341 -10.889 1.00 1.49 C ATOM 1513 NZ LYS A 89 11.729 5.150 -12.094 1.00 2.11 N ATOM 0 H LYS A 89 10.449 2.116 -6.842 1.00 0.44 H new ATOM 0 HA LYS A 89 11.672 0.027 -8.504 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.929 3.039 -8.439 1.00 0.51 H new ATOM 0 HB3 LYS A 89 12.908 2.000 -9.456 1.00 0.51 H new ATOM 0 HG2 LYS A 89 10.630 1.039 -10.291 1.00 0.69 H new ATOM 0 HG3 LYS A 89 9.929 2.475 -9.573 1.00 0.69 H new ATOM 0 HD2 LYS A 89 12.164 2.472 -11.631 1.00 0.93 H new ATOM 0 HD3 LYS A 89 10.472 2.755 -11.987 1.00 0.93 H new ATOM 0 HE2 LYS A 89 10.503 4.721 -10.426 1.00 1.49 H new ATOM 0 HE3 LYS A 89 12.214 4.454 -10.158 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 11.842 6.148 -11.823 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 12.612 4.806 -12.522 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 10.954 5.064 -12.782 1.00 2.11 H new ATOM 1527 N ILE A 90 13.745 -0.232 -7.241 1.00 0.36 N ATOM 1528 CA ILE A 90 14.836 -0.565 -6.340 1.00 0.33 C ATOM 1529 C ILE A 90 16.088 -0.909 -7.126 1.00 0.35 C ATOM 1530 O ILE A 90 16.021 -1.659 -8.098 1.00 0.36 O ATOM 1531 CB ILE A 90 14.462 -1.764 -5.435 1.00 0.32 C ATOM 1532 CG1 ILE A 90 13.199 -1.463 -4.619 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.617 -2.125 -4.511 1.00 0.33 C ATOM 1534 CD1 ILE A 90 13.356 -0.315 -3.643 1.00 0.36 C ATOM 0 H ILE A 90 13.592 -0.913 -7.985 1.00 0.36 H new ATOM 0 HA ILE A 90 15.025 0.308 -5.715 1.00 0.33 H new ATOM 0 HB ILE A 90 14.256 -2.618 -6.080 1.00 0.32 H new ATOM 0 HG12 ILE A 90 12.382 -1.235 -5.304 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.913 -2.359 -4.068 1.00 0.35 H new ATOM 0 HG21 ILE A 90 15.331 -2.970 -3.885 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.489 -2.394 -5.107 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.858 -1.270 -3.879 1.00 0.33 H new ATOM 0 HD11 ILE A 90 12.420 -0.165 -3.105 1.00 0.36 H new ATOM 0 HD12 ILE A 90 14.150 -0.547 -2.933 1.00 0.36 H new ATOM 0 HD13 ILE A 90 13.611 0.594 -4.188 1.00 0.36 H new ATOM 1546 N ARG A 91 17.228 -0.369 -6.718 1.00 0.38 N ATOM 1547 CA ARG A 91 18.490 -0.723 -7.340 1.00 0.43 C ATOM 1548 C ARG A 91 19.299 -1.577 -6.375 1.00 0.42 C ATOM 1549 O ARG A 91 19.538 -1.183 -5.233 1.00 0.44 O ATOM 1550 CB ARG A 91 19.277 0.527 -7.729 1.00 0.52 C ATOM 1551 CG ARG A 91 20.490 0.240 -8.599 1.00 0.57 C ATOM 1552 CD ARG A 91 21.211 1.520 -8.985 1.00 0.74 C ATOM 1553 NE ARG A 91 20.391 2.384 -9.837 1.00 0.72 N ATOM 1554 CZ ARG A 91 20.333 3.711 -9.721 1.00 1.09 C ATOM 1555 NH1 ARG A 91 21.062 4.337 -8.805 1.00 1.82 N ATOM 1556 NH2 ARG A 91 19.558 4.413 -10.533 1.00 1.12 N ATOM 0 H ARG A 91 17.302 0.312 -5.963 1.00 0.38 H new ATOM 0 HA ARG A 91 18.290 -1.288 -8.251 1.00 0.43 H new ATOM 0 HB2 ARG A 91 18.615 1.212 -8.259 1.00 0.52 H new ATOM 0 HB3 ARG A 91 19.604 1.037 -6.822 1.00 0.52 H new ATOM 0 HG2 ARG A 91 21.175 -0.418 -8.065 1.00 0.57 H new ATOM 0 HG3 ARG A 91 20.177 -0.289 -9.499 1.00 0.57 H new ATOM 0 HD2 ARG A 91 21.491 2.063 -8.082 1.00 0.74 H new ATOM 0 HD3 ARG A 91 22.135 1.271 -9.506 1.00 0.74 H new ATOM 0 HE ARG A 91 19.829 1.943 -10.565 1.00 0.72 H new ATOM 0 HH11 ARG A 91 21.671 3.803 -8.185 1.00 1.82 H new ATOM 0 HH12 ARG A 91 21.013 5.352 -8.721 1.00 1.82 H new ATOM 0 HH21 ARG A 91 19.005 3.939 -11.247 1.00 1.12 H new ATOM 0 HH22 ARG A 91 19.513 5.428 -10.444 1.00 1.12 H new ATOM 1570 N MET A 92 19.692 -2.750 -6.834 1.00 0.42 N ATOM 1571 CA MET A 92 20.405 -3.713 -6.012 1.00 0.44 C ATOM 1572 C MET A 92 21.895 -3.409 -5.967 1.00 0.48 C ATOM 1573 O MET A 92 22.388 -2.589 -6.743 1.00 0.51 O ATOM 1574 CB MET A 92 20.169 -5.119 -6.559 1.00 0.46 C ATOM 1575 CG MET A 92 19.056 -5.881 -5.860 1.00 0.57 C ATOM 1576 SD MET A 92 17.623 -4.867 -5.454 1.00 1.04 S ATOM 1577 CE MET A 92 16.984 -4.530 -7.087 1.00 0.34 C ATOM 0 H MET A 92 19.526 -3.064 -7.790 1.00 0.42 H new ATOM 0 HA MET A 92 20.024 -3.647 -4.993 1.00 0.44 H new ATOM 0 HB2 MET A 92 19.934 -5.049 -7.621 1.00 0.46 H new ATOM 0 HB3 MET A 92 21.094 -5.690 -6.474 1.00 0.46 H new ATOM 0 HG2 MET A 92 18.737 -6.705 -6.498 1.00 0.57 H new ATOM 0 HG3 MET A 92 19.450 -6.321 -4.944 1.00 0.57 H new ATOM 0 HE1 MET A 92 16.053 -3.970 -7.005 1.00 0.34 H new ATOM 0 HE2 MET A 92 17.712 -3.944 -7.649 1.00 0.34 H new ATOM 0 HE3 MET A 92 16.797 -5.470 -7.606 1.00 0.34 H new ATOM 1587 N LEU A 93 22.600 -4.122 -5.086 1.00 0.49 N ATOM 1588 CA LEU A 93 24.004 -3.844 -4.769 1.00 0.55 C ATOM 1589 C LEU A 93 24.881 -3.887 -6.014 1.00 0.61 C ATOM 1590 O LEU A 93 25.815 -3.098 -6.155 1.00 0.69 O ATOM 1591 CB LEU A 93 24.556 -4.856 -3.749 1.00 0.57 C ATOM 1592 CG LEU A 93 23.827 -4.960 -2.399 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.427 -3.587 -1.884 1.00 0.68 C ATOM 1594 CD2 LEU A 93 22.620 -5.886 -2.494 1.00 0.79 C ATOM 0 H LEU A 93 22.212 -4.912 -4.570 1.00 0.49 H new ATOM 0 HA LEU A 93 24.031 -2.841 -4.344 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.549 -5.842 -4.214 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.598 -4.603 -3.552 1.00 0.57 H new ATOM 0 HG LEU A 93 24.522 -5.394 -1.680 1.00 0.57 H new ATOM 0 HD11 LEU A 93 22.914 -3.692 -0.928 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.319 -2.974 -1.751 1.00 0.68 H new ATOM 0 HD13 LEU A 93 22.762 -3.109 -2.603 1.00 0.68 H new ATOM 0 HD21 LEU A 93 22.125 -5.939 -1.524 1.00 0.79 H new ATOM 0 HD22 LEU A 93 21.922 -5.499 -3.237 1.00 0.79 H new ATOM 0 HD23 LEU A 93 22.948 -6.883 -2.789 1.00 0.79 H new ATOM 1606 N ASP A 94 24.573 -4.810 -6.915 1.00 0.61 N ATOM 1607 CA ASP A 94 25.355 -4.988 -8.132 1.00 0.69 C ATOM 1608 C ASP A 94 25.071 -3.864 -9.117 1.00 0.66 C ATOM 1609 O ASP A 94 25.764 -3.710 -10.121 1.00 0.70 O ATOM 1610 CB ASP A 94 25.048 -6.345 -8.775 1.00 0.76 C ATOM 1611 CG ASP A 94 23.643 -6.432 -9.335 1.00 1.47 C ATOM 1612 OD1 ASP A 94 22.691 -6.067 -8.617 1.00 2.26 O ATOM 1613 OD2 ASP A 94 23.484 -6.848 -10.504 1.00 1.93 O ATOM 0 H ASP A 94 23.784 -5.450 -6.826 1.00 0.61 H new ATOM 0 HA ASP A 94 26.412 -4.960 -7.867 1.00 0.69 H new ATOM 0 HB2 ASP A 94 25.764 -6.532 -9.575 1.00 0.76 H new ATOM 0 HB3 ASP A 94 25.187 -7.132 -8.033 1.00 0.76 H new ATOM 1618 N GLY A 95 24.045 -3.080 -8.823 1.00 0.61 N ATOM 1619 CA GLY A 95 23.720 -1.942 -9.653 1.00 0.61 C ATOM 1620 C GLY A 95 22.534 -2.209 -10.549 1.00 0.58 C ATOM 1621 O GLY A 95 22.246 -1.427 -11.455 1.00 0.64 O ATOM 0 H GLY A 95 23.430 -3.214 -8.020 1.00 0.61 H new ATOM 0 HA2 GLY A 95 23.508 -1.081 -9.019 1.00 0.61 H new ATOM 0 HA3 GLY A 95 24.584 -1.682 -10.265 1.00 0.61 H new ATOM 1625 N THR A 96 21.838 -3.304 -10.296 1.00 0.54 N ATOM 1626 CA THR A 96 20.705 -3.689 -11.123 1.00 0.54 C ATOM 1627 C THR A 96 19.407 -3.189 -10.510 1.00 0.47 C ATOM 1628 O THR A 96 19.162 -3.380 -9.324 1.00 0.47 O ATOM 1629 CB THR A 96 20.646 -5.219 -11.302 1.00 0.62 C ATOM 1630 OG1 THR A 96 21.809 -5.666 -12.007 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.399 -5.645 -12.061 1.00 0.61 C ATOM 0 H THR A 96 22.036 -3.942 -9.526 1.00 0.54 H new ATOM 0 HA THR A 96 20.835 -3.232 -12.104 1.00 0.54 H new ATOM 0 HB THR A 96 20.611 -5.672 -10.311 1.00 0.62 H new ATOM 0 HG1 THR A 96 22.419 -6.111 -11.382 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.391 -6.730 -12.168 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.513 -5.328 -11.511 1.00 0.61 H new ATOM 0 HG23 THR A 96 19.398 -5.183 -13.048 1.00 0.61 H new ATOM 1639 N VAL A 97 18.578 -2.553 -11.316 1.00 0.45 N ATOM 1640 CA VAL A 97 17.350 -1.968 -10.817 1.00 0.41 C ATOM 1641 C VAL A 97 16.137 -2.784 -11.262 1.00 0.38 C ATOM 1642 O VAL A 97 16.066 -3.255 -12.399 1.00 0.41 O ATOM 1643 CB VAL A 97 17.212 -0.492 -11.269 1.00 0.50 C ATOM 1644 CG1 VAL A 97 17.245 -0.378 -12.781 1.00 1.07 C ATOM 1645 CG2 VAL A 97 15.945 0.143 -10.715 1.00 1.11 C ATOM 0 H VAL A 97 18.733 -2.429 -12.317 1.00 0.45 H new ATOM 0 HA VAL A 97 17.391 -1.985 -9.728 1.00 0.41 H new ATOM 0 HB VAL A 97 18.066 0.052 -10.865 1.00 0.50 H new ATOM 0 HG11 VAL A 97 17.146 0.669 -13.069 1.00 1.07 H new ATOM 0 HG12 VAL A 97 18.191 -0.770 -13.155 1.00 1.07 H new ATOM 0 HG13 VAL A 97 16.421 -0.951 -13.207 1.00 1.07 H new ATOM 0 HG21 VAL A 97 15.880 1.178 -11.051 1.00 1.11 H new ATOM 0 HG22 VAL A 97 15.075 -0.410 -11.071 1.00 1.11 H new ATOM 0 HG23 VAL A 97 15.971 0.117 -9.626 1.00 1.11 H new ATOM 1655 N LYS A 98 15.196 -2.951 -10.350 1.00 0.35 N ATOM 1656 CA LYS A 98 13.950 -3.640 -10.651 1.00 0.35 C ATOM 1657 C LYS A 98 12.790 -2.906 -10.001 1.00 0.36 C ATOM 1658 O LYS A 98 12.984 -2.136 -9.063 1.00 0.37 O ATOM 1659 CB LYS A 98 13.969 -5.101 -10.178 1.00 0.38 C ATOM 1660 CG LYS A 98 13.834 -5.280 -8.670 1.00 0.41 C ATOM 1661 CD LYS A 98 13.452 -6.709 -8.297 1.00 0.43 C ATOM 1662 CE LYS A 98 11.971 -6.988 -8.532 1.00 0.43 C ATOM 1663 NZ LYS A 98 11.622 -7.129 -9.975 1.00 0.94 N ATOM 0 H LYS A 98 15.270 -2.617 -9.389 1.00 0.35 H new ATOM 0 HA LYS A 98 13.830 -3.646 -11.734 1.00 0.35 H new ATOM 0 HB2 LYS A 98 13.158 -5.639 -10.669 1.00 0.38 H new ATOM 0 HB3 LYS A 98 14.901 -5.563 -10.504 1.00 0.38 H new ATOM 0 HG2 LYS A 98 14.776 -5.019 -8.188 1.00 0.41 H new ATOM 0 HG3 LYS A 98 13.080 -4.592 -8.289 1.00 0.41 H new ATOM 0 HD2 LYS A 98 14.049 -7.408 -8.883 1.00 0.43 H new ATOM 0 HD3 LYS A 98 13.692 -6.886 -7.248 1.00 0.43 H new ATOM 0 HE2 LYS A 98 11.692 -7.901 -8.006 1.00 0.43 H new ATOM 0 HE3 LYS A 98 11.382 -6.179 -8.100 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 10.861 -7.829 -10.081 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 11.303 -6.211 -10.346 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 12.459 -7.445 -10.505 1.00 0.94 H new ATOM 1677 N THR A 99 11.594 -3.136 -10.504 1.00 0.40 N ATOM 1678 CA THR A 99 10.401 -2.589 -9.895 1.00 0.44 C ATOM 1679 C THR A 99 9.584 -3.725 -9.296 1.00 0.47 C ATOM 1680 O THR A 99 9.247 -4.685 -9.991 1.00 0.58 O ATOM 1681 CB THR A 99 9.541 -1.828 -10.919 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.343 -0.854 -11.601 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.371 -1.144 -10.231 1.00 0.57 C ATOM 0 H THR A 99 11.423 -3.700 -11.336 1.00 0.40 H new ATOM 0 HA THR A 99 10.704 -1.885 -9.120 1.00 0.44 H new ATOM 0 HB THR A 99 9.149 -2.543 -11.643 1.00 0.48 H new ATOM 0 HG1 THR A 99 9.791 -0.374 -12.253 1.00 0.50 H new ATOM 0 HG21 THR A 99 7.775 -0.611 -10.971 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.752 -1.892 -9.736 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.747 -0.437 -9.491 1.00 0.57 H new ATOM 1691 N ILE A 100 9.296 -3.644 -8.012 1.00 0.42 N ATOM 1692 CA ILE A 100 8.573 -4.697 -7.327 1.00 0.44 C ATOM 1693 C ILE A 100 7.407 -4.083 -6.558 1.00 0.45 C ATOM 1694 O ILE A 100 7.488 -2.932 -6.122 1.00 0.45 O ATOM 1695 CB ILE A 100 9.527 -5.489 -6.390 1.00 0.48 C ATOM 1696 CG1 ILE A 100 8.867 -6.773 -5.860 1.00 0.61 C ATOM 1697 CG2 ILE A 100 10.020 -4.610 -5.245 1.00 0.48 C ATOM 1698 CD1 ILE A 100 8.128 -6.617 -4.546 1.00 0.50 C ATOM 0 H ILE A 100 9.553 -2.855 -7.419 1.00 0.42 H new ATOM 0 HA ILE A 100 8.174 -5.406 -8.053 1.00 0.44 H new ATOM 0 HB ILE A 100 10.392 -5.790 -6.981 1.00 0.48 H new ATOM 0 HG12 ILE A 100 8.168 -7.141 -6.611 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.636 -7.536 -5.739 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.686 -5.187 -4.604 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.559 -3.753 -5.650 1.00 0.48 H new ATOM 0 HG23 ILE A 100 9.168 -4.260 -4.662 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.697 -7.575 -4.255 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.822 -6.282 -3.776 1.00 0.50 H new ATOM 0 HD13 ILE A 100 7.332 -5.882 -4.661 1.00 0.50 H new ATOM 1710 N MET A 101 6.317 -4.820 -6.422 1.00 0.47 N ATOM 1711 CA MET A 101 5.147 -4.284 -5.747 1.00 0.50 C ATOM 1712 C MET A 101 5.243 -4.537 -4.253 1.00 0.50 C ATOM 1713 O MET A 101 5.163 -5.670 -3.782 1.00 0.52 O ATOM 1714 CB MET A 101 3.882 -4.949 -6.296 1.00 0.56 C ATOM 1715 CG MET A 101 3.731 -4.850 -7.806 1.00 0.64 C ATOM 1716 SD MET A 101 3.459 -3.161 -8.370 1.00 0.98 S ATOM 1717 CE MET A 101 1.943 -2.764 -7.506 1.00 0.59 C ATOM 0 H MET A 101 6.218 -5.776 -6.764 1.00 0.47 H new ATOM 0 HA MET A 101 5.100 -3.210 -5.925 1.00 0.50 H new ATOM 0 HB2 MET A 101 3.885 -6.001 -6.011 1.00 0.56 H new ATOM 0 HB3 MET A 101 3.011 -4.493 -5.824 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.627 -5.248 -8.283 1.00 0.64 H new ATOM 0 HG3 MET A 101 2.896 -5.474 -8.125 1.00 0.64 H new ATOM 0 HE1 MET A 101 1.612 -1.766 -7.792 1.00 0.59 H new ATOM 0 HE2 MET A 101 1.174 -3.490 -7.768 1.00 0.59 H new ATOM 0 HE3 MET A 101 2.119 -2.794 -6.431 1.00 0.59 H new ATOM 1727 N VAL A 102 5.413 -3.447 -3.520 1.00 0.50 N ATOM 1728 CA VAL A 102 5.552 -3.498 -2.076 1.00 0.53 C ATOM 1729 C VAL A 102 4.270 -3.073 -1.398 1.00 0.49 C ATOM 1730 O VAL A 102 3.731 -2.008 -1.706 1.00 0.50 O ATOM 1731 CB VAL A 102 6.662 -2.564 -1.579 1.00 0.61 C ATOM 1732 CG1 VAL A 102 7.014 -2.877 -0.140 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.884 -2.643 -2.468 1.00 0.90 C ATOM 0 H VAL A 102 5.458 -2.506 -3.910 1.00 0.50 H new ATOM 0 HA VAL A 102 5.798 -4.531 -1.828 1.00 0.53 H new ATOM 0 HB VAL A 102 6.289 -1.541 -1.625 1.00 0.61 H new ATOM 0 HG11 VAL A 102 7.803 -2.205 0.196 1.00 0.73 H new ATOM 0 HG12 VAL A 102 6.133 -2.744 0.487 1.00 0.73 H new ATOM 0 HG13 VAL A 102 7.360 -3.908 -0.066 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.653 -1.970 -2.090 1.00 0.90 H new ATOM 0 HG22 VAL A 102 8.266 -3.664 -2.472 1.00 0.90 H new ATOM 0 HG23 VAL A 102 7.615 -2.352 -3.483 1.00 0.90 H new ATOM 1743 N ASP A 103 3.786 -3.908 -0.490 1.00 0.48 N ATOM 1744 CA ASP A 103 2.622 -3.573 0.315 1.00 0.47 C ATOM 1745 C ASP A 103 2.872 -2.264 1.047 1.00 0.46 C ATOM 1746 O ASP A 103 3.807 -2.157 1.840 1.00 0.51 O ATOM 1747 CB ASP A 103 2.324 -4.679 1.332 1.00 0.51 C ATOM 1748 CG ASP A 103 2.236 -6.051 0.704 1.00 1.22 C ATOM 1749 OD1 ASP A 103 3.297 -6.673 0.483 1.00 1.96 O ATOM 1750 OD2 ASP A 103 1.113 -6.523 0.444 1.00 1.56 O ATOM 0 H ASP A 103 4.184 -4.826 -0.292 1.00 0.48 H new ATOM 0 HA ASP A 103 1.762 -3.471 -0.346 1.00 0.47 H new ATOM 0 HB2 ASP A 103 3.103 -4.684 2.094 1.00 0.51 H new ATOM 0 HB3 ASP A 103 1.385 -4.456 1.838 1.00 0.51 H new ATOM 1755 N ASP A 104 2.052 -1.268 0.766 1.00 0.46 N ATOM 1756 CA ASP A 104 2.206 0.046 1.378 1.00 0.47 C ATOM 1757 C ASP A 104 1.668 0.023 2.802 1.00 0.46 C ATOM 1758 O ASP A 104 1.949 0.910 3.611 1.00 0.54 O ATOM 1759 CB ASP A 104 1.478 1.105 0.546 1.00 0.54 C ATOM 1760 CG ASP A 104 1.667 2.507 1.091 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.713 3.124 0.791 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.772 2.991 1.819 1.00 0.64 O ATOM 0 H ASP A 104 1.269 -1.341 0.116 1.00 0.46 H new ATOM 0 HA ASP A 104 3.265 0.301 1.410 1.00 0.47 H new ATOM 0 HB2 ASP A 104 1.840 1.067 -0.481 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.414 0.871 0.518 1.00 0.54 H new ATOM 1767 N SER A 105 0.919 -1.023 3.108 1.00 0.43 N ATOM 1768 CA SER A 105 0.298 -1.168 4.412 1.00 0.49 C ATOM 1769 C SER A 105 1.278 -1.692 5.470 1.00 0.57 C ATOM 1770 O SER A 105 0.888 -1.941 6.611 1.00 0.96 O ATOM 1771 CB SER A 105 -0.900 -2.107 4.281 1.00 0.52 C ATOM 1772 OG SER A 105 -0.608 -3.175 3.391 1.00 1.27 O ATOM 0 H SER A 105 0.726 -1.790 2.464 1.00 0.43 H new ATOM 0 HA SER A 105 -0.026 -0.184 4.750 1.00 0.49 H new ATOM 0 HB2 SER A 105 -1.164 -2.506 5.260 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.765 -1.552 3.919 1.00 0.52 H new ATOM 0 HG SER A 105 -1.114 -3.971 3.657 1.00 1.27 H new ATOM 1778 N LYS A 106 2.549 -1.847 5.102 1.00 0.45 N ATOM 1779 CA LYS A 106 3.543 -2.358 6.038 1.00 0.49 C ATOM 1780 C LYS A 106 4.807 -1.497 6.055 1.00 0.52 C ATOM 1781 O LYS A 106 4.981 -0.609 5.216 1.00 0.65 O ATOM 1782 CB LYS A 106 3.866 -3.833 5.739 1.00 0.58 C ATOM 1783 CG LYS A 106 4.173 -4.153 4.281 1.00 0.69 C ATOM 1784 CD LYS A 106 5.624 -3.901 3.920 1.00 0.58 C ATOM 1785 CE LYS A 106 5.984 -4.546 2.588 1.00 1.00 C ATOM 1786 NZ LYS A 106 5.796 -6.025 2.607 1.00 2.02 N ATOM 0 H LYS A 106 2.910 -1.628 4.173 1.00 0.45 H new ATOM 0 HA LYS A 106 3.113 -2.304 7.038 1.00 0.49 H new ATOM 0 HB2 LYS A 106 4.721 -4.130 6.346 1.00 0.58 H new ATOM 0 HB3 LYS A 106 3.021 -4.444 6.057 1.00 0.58 H new ATOM 0 HG2 LYS A 106 3.930 -5.197 4.083 1.00 0.69 H new ATOM 0 HG3 LYS A 106 3.533 -3.549 3.638 1.00 0.69 H new ATOM 0 HD2 LYS A 106 5.807 -2.828 3.868 1.00 0.58 H new ATOM 0 HD3 LYS A 106 6.270 -4.296 4.704 1.00 0.58 H new ATOM 0 HE2 LYS A 106 5.368 -4.114 1.799 1.00 1.00 H new ATOM 0 HE3 LYS A 106 7.021 -4.317 2.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 6.529 -6.476 2.023 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 5.870 -6.372 3.585 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 4.857 -6.261 2.226 1.00 2.02 H new ATOM 1800 N THR A 107 5.671 -1.757 7.028 1.00 0.53 N ATOM 1801 CA THR A 107 6.871 -0.957 7.239 1.00 0.57 C ATOM 1802 C THR A 107 8.053 -1.440 6.390 1.00 0.52 C ATOM 1803 O THR A 107 7.916 -2.339 5.560 1.00 0.54 O ATOM 1804 CB THR A 107 7.255 -0.944 8.730 1.00 0.69 C ATOM 1805 OG1 THR A 107 7.036 -2.239 9.303 1.00 0.76 O ATOM 1806 CG2 THR A 107 6.452 0.103 9.491 1.00 0.74 C ATOM 0 H THR A 107 5.561 -2.525 7.690 1.00 0.53 H new ATOM 0 HA THR A 107 6.637 0.058 6.919 1.00 0.57 H new ATOM 0 HB THR A 107 8.312 -0.688 8.808 1.00 0.69 H new ATOM 0 HG1 THR A 107 7.284 -2.223 10.251 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.742 0.091 10.542 1.00 0.74 H new ATOM 0 HG22 THR A 107 6.649 1.089 9.071 1.00 0.74 H new ATOM 0 HG23 THR A 107 5.389 -0.121 9.406 1.00 0.74 H new ATOM 1814 N VAL A 108 9.225 -0.851 6.623 1.00 0.49 N ATOM 1815 CA VAL A 108 10.367 -1.016 5.728 1.00 0.47 C ATOM 1816 C VAL A 108 11.100 -2.346 5.931 1.00 0.42 C ATOM 1817 O VAL A 108 11.510 -2.976 4.965 1.00 0.44 O ATOM 1818 CB VAL A 108 11.366 0.139 5.902 1.00 0.55 C ATOM 1819 CG1 VAL A 108 12.478 0.066 4.866 1.00 0.61 C ATOM 1820 CG2 VAL A 108 10.658 1.480 5.835 1.00 0.60 C ATOM 0 H VAL A 108 9.408 -0.253 7.428 1.00 0.49 H new ATOM 0 HA VAL A 108 9.959 -1.012 4.717 1.00 0.47 H new ATOM 0 HB VAL A 108 11.820 0.040 6.888 1.00 0.55 H new ATOM 0 HG11 VAL A 108 13.169 0.896 5.015 1.00 0.61 H new ATOM 0 HG12 VAL A 108 13.015 -0.877 4.974 1.00 0.61 H new ATOM 0 HG13 VAL A 108 12.048 0.126 3.866 1.00 0.61 H new ATOM 0 HG21 VAL A 108 11.385 2.282 5.961 1.00 0.60 H new ATOM 0 HG22 VAL A 108 10.167 1.584 4.868 1.00 0.60 H new ATOM 0 HG23 VAL A 108 9.913 1.538 6.629 1.00 0.60 H new ATOM 1830 N THR A 109 11.328 -2.742 7.176 1.00 0.43 N ATOM 1831 CA THR A 109 11.910 -4.057 7.458 1.00 0.43 C ATOM 1832 C THR A 109 11.145 -5.172 6.741 1.00 0.44 C ATOM 1833 O THR A 109 11.745 -6.023 6.078 1.00 0.45 O ATOM 1834 CB THR A 109 11.947 -4.331 8.970 1.00 0.51 C ATOM 1835 OG1 THR A 109 12.692 -3.294 9.620 1.00 0.56 O ATOM 1836 CG2 THR A 109 12.576 -5.685 9.270 1.00 0.56 C ATOM 0 H THR A 109 11.123 -2.181 8.003 1.00 0.43 H new ATOM 0 HA THR A 109 12.932 -4.046 7.080 1.00 0.43 H new ATOM 0 HB THR A 109 10.924 -4.345 9.345 1.00 0.51 H new ATOM 0 HG1 THR A 109 12.117 -2.511 9.751 1.00 0.56 H new ATOM 0 HG21 THR A 109 12.588 -5.850 10.347 1.00 0.56 H new ATOM 0 HG22 THR A 109 11.994 -6.471 8.789 1.00 0.56 H new ATOM 0 HG23 THR A 109 13.597 -5.704 8.889 1.00 0.56 H new ATOM 1844 N ASP A 110 9.822 -5.141 6.850 1.00 0.47 N ATOM 1845 CA ASP A 110 8.966 -6.099 6.157 1.00 0.51 C ATOM 1846 C ASP A 110 9.100 -5.911 4.645 1.00 0.49 C ATOM 1847 O ASP A 110 9.164 -6.874 3.884 1.00 0.54 O ATOM 1848 CB ASP A 110 7.512 -5.898 6.596 1.00 0.57 C ATOM 1849 CG ASP A 110 6.582 -6.989 6.103 1.00 0.65 C ATOM 1850 OD1 ASP A 110 6.298 -7.028 4.889 1.00 0.70 O ATOM 1851 OD2 ASP A 110 6.148 -7.818 6.916 1.00 0.76 O ATOM 0 H ASP A 110 9.316 -4.459 7.415 1.00 0.47 H new ATOM 0 HA ASP A 110 9.273 -7.114 6.410 1.00 0.51 H new ATOM 0 HB2 ASP A 110 7.470 -5.859 7.684 1.00 0.57 H new ATOM 0 HB3 ASP A 110 7.158 -4.935 6.228 1.00 0.57 H new ATOM 1856 N MET A 111 9.157 -4.650 4.231 1.00 0.46 N ATOM 1857 CA MET A 111 9.376 -4.279 2.834 1.00 0.46 C ATOM 1858 C MET A 111 10.619 -4.937 2.259 1.00 0.40 C ATOM 1859 O MET A 111 10.576 -5.535 1.188 1.00 0.43 O ATOM 1860 CB MET A 111 9.534 -2.767 2.731 1.00 0.51 C ATOM 1861 CG MET A 111 10.109 -2.286 1.408 1.00 0.50 C ATOM 1862 SD MET A 111 10.577 -0.551 1.472 1.00 0.75 S ATOM 1863 CE MET A 111 9.193 0.101 2.394 1.00 0.67 C ATOM 0 H MET A 111 9.052 -3.851 4.857 1.00 0.46 H new ATOM 0 HA MET A 111 8.512 -4.621 2.264 1.00 0.46 H new ATOM 0 HB2 MET A 111 8.560 -2.301 2.881 1.00 0.51 H new ATOM 0 HB3 MET A 111 10.180 -2.425 3.540 1.00 0.51 H new ATOM 0 HG2 MET A 111 10.981 -2.888 1.151 1.00 0.50 H new ATOM 0 HG3 MET A 111 9.374 -2.435 0.617 1.00 0.50 H new ATOM 0 HE1 MET A 111 9.174 1.187 2.302 1.00 0.67 H new ATOM 0 HE2 MET A 111 8.265 -0.313 1.999 1.00 0.67 H new ATOM 0 HE3 MET A 111 9.294 -0.173 3.444 1.00 0.67 H new ATOM 1873 N LEU A 112 11.728 -4.802 2.965 1.00 0.36 N ATOM 1874 CA LEU A 112 13.000 -5.308 2.482 1.00 0.34 C ATOM 1875 C LEU A 112 12.962 -6.820 2.373 1.00 0.37 C ATOM 1876 O LEU A 112 13.559 -7.401 1.471 1.00 0.42 O ATOM 1877 CB LEU A 112 14.140 -4.873 3.394 1.00 0.35 C ATOM 1878 CG LEU A 112 15.410 -4.479 2.652 1.00 0.38 C ATOM 1879 CD1 LEU A 112 15.154 -3.256 1.791 1.00 0.39 C ATOM 1880 CD2 LEU A 112 16.535 -4.214 3.626 1.00 0.46 C ATOM 0 H LEU A 112 11.773 -4.345 3.876 1.00 0.36 H new ATOM 0 HA LEU A 112 13.176 -4.890 1.491 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.807 -4.029 3.997 1.00 0.35 H new ATOM 0 HB3 LEU A 112 14.371 -5.686 4.083 1.00 0.35 H new ATOM 0 HG LEU A 112 15.706 -5.306 2.006 1.00 0.38 H new ATOM 0 HD11 LEU A 112 16.069 -2.983 1.265 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.371 -3.479 1.066 1.00 0.39 H new ATOM 0 HD13 LEU A 112 14.838 -2.426 2.423 1.00 0.39 H new ATOM 0 HD21 LEU A 112 17.434 -3.934 3.076 1.00 0.46 H new ATOM 0 HD22 LEU A 112 16.252 -3.403 4.297 1.00 0.46 H new ATOM 0 HD23 LEU A 112 16.732 -5.114 4.208 1.00 0.46 H new ATOM 1892 N MET A 113 12.246 -7.448 3.296 1.00 0.39 N ATOM 1893 CA MET A 113 12.000 -8.880 3.229 1.00 0.46 C ATOM 1894 C MET A 113 11.351 -9.220 1.897 1.00 0.49 C ATOM 1895 O MET A 113 11.748 -10.162 1.216 1.00 0.56 O ATOM 1896 CB MET A 113 11.086 -9.303 4.377 1.00 0.55 C ATOM 1897 CG MET A 113 10.764 -10.787 4.395 1.00 0.61 C ATOM 1898 SD MET A 113 9.655 -11.230 5.748 1.00 0.98 S ATOM 1899 CE MET A 113 8.263 -10.150 5.413 1.00 1.34 C ATOM 0 H MET A 113 11.825 -6.986 4.102 1.00 0.39 H new ATOM 0 HA MET A 113 12.946 -9.415 3.316 1.00 0.46 H new ATOM 0 HB2 MET A 113 11.557 -9.032 5.322 1.00 0.55 H new ATOM 0 HB3 MET A 113 10.155 -8.740 4.313 1.00 0.55 H new ATOM 0 HG2 MET A 113 10.307 -11.069 3.446 1.00 0.61 H new ATOM 0 HG3 MET A 113 11.689 -11.356 4.485 1.00 0.61 H new ATOM 0 HE1 MET A 113 7.341 -10.636 5.731 1.00 1.34 H new ATOM 0 HE2 MET A 113 8.388 -9.215 5.960 1.00 1.34 H new ATOM 0 HE3 MET A 113 8.213 -9.941 4.344 1.00 1.34 H new ATOM 1909 N THR A 114 10.362 -8.419 1.540 1.00 0.47 N ATOM 1910 CA THR A 114 9.661 -8.544 0.278 1.00 0.50 C ATOM 1911 C THR A 114 10.594 -8.309 -0.921 1.00 0.46 C ATOM 1912 O THR A 114 10.566 -9.061 -1.894 1.00 0.49 O ATOM 1913 CB THR A 114 8.497 -7.527 0.238 1.00 0.54 C ATOM 1914 OG1 THR A 114 7.555 -7.810 1.282 1.00 0.62 O ATOM 1915 CG2 THR A 114 7.784 -7.525 -1.105 1.00 0.60 C ATOM 0 H THR A 114 10.021 -7.656 2.125 1.00 0.47 H new ATOM 0 HA THR A 114 9.278 -9.562 0.204 1.00 0.50 H new ATOM 0 HB THR A 114 8.929 -6.538 0.388 1.00 0.54 H new ATOM 0 HG1 THR A 114 7.970 -7.637 2.153 1.00 0.62 H new ATOM 0 HG21 THR A 114 6.974 -6.796 -1.086 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.491 -7.262 -1.892 1.00 0.60 H new ATOM 0 HG23 THR A 114 7.375 -8.516 -1.301 1.00 0.60 H new ATOM 1923 N ILE A 115 11.433 -7.279 -0.839 1.00 0.43 N ATOM 1924 CA ILE A 115 12.260 -6.867 -1.973 1.00 0.41 C ATOM 1925 C ILE A 115 13.461 -7.790 -2.176 1.00 0.42 C ATOM 1926 O ILE A 115 13.700 -8.269 -3.286 1.00 0.43 O ATOM 1927 CB ILE A 115 12.763 -5.416 -1.805 1.00 0.40 C ATOM 1928 CG1 ILE A 115 11.578 -4.453 -1.687 1.00 0.42 C ATOM 1929 CG2 ILE A 115 13.656 -5.021 -2.975 1.00 0.42 C ATOM 1930 CD1 ILE A 115 11.986 -3.015 -1.449 1.00 0.44 C ATOM 0 H ILE A 115 11.559 -6.714 0.001 1.00 0.43 H new ATOM 0 HA ILE A 115 11.620 -6.930 -2.853 1.00 0.41 H new ATOM 0 HB ILE A 115 13.351 -5.357 -0.889 1.00 0.40 H new ATOM 0 HG12 ILE A 115 10.985 -4.507 -2.600 1.00 0.42 H new ATOM 0 HG13 ILE A 115 10.935 -4.780 -0.869 1.00 0.42 H new ATOM 0 HG21 ILE A 115 14.001 -3.996 -2.840 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.515 -5.690 -3.019 1.00 0.42 H new ATOM 0 HG23 ILE A 115 13.091 -5.094 -3.905 1.00 0.42 H new ATOM 0 HD11 ILE A 115 11.095 -2.391 -1.376 1.00 0.44 H new ATOM 0 HD12 ILE A 115 12.554 -2.947 -0.521 1.00 0.44 H new ATOM 0 HD13 ILE A 115 12.604 -2.670 -2.278 1.00 0.44 H new ATOM 1942 N CYS A 116 14.208 -8.052 -1.108 1.00 0.43 N ATOM 1943 CA CYS A 116 15.425 -8.850 -1.214 1.00 0.47 C ATOM 1944 C CYS A 116 15.088 -10.285 -1.613 1.00 0.50 C ATOM 1945 O CYS A 116 15.890 -10.967 -2.259 1.00 0.53 O ATOM 1946 CB CYS A 116 16.222 -8.815 0.097 1.00 0.51 C ATOM 1947 SG CYS A 116 16.612 -7.145 0.670 1.00 1.56 S ATOM 0 H CYS A 116 13.994 -7.726 -0.165 1.00 0.43 H new ATOM 0 HA CYS A 116 16.052 -8.417 -1.993 1.00 0.47 H new ATOM 0 HB2 CYS A 116 15.653 -9.331 0.871 1.00 0.51 H new ATOM 0 HB3 CYS A 116 17.151 -9.369 -0.039 1.00 0.51 H new ATOM 0 HG CYS A 116 17.800 -7.133 1.197 1.00 1.56 H new ATOM 1953 N ALA A 117 13.879 -10.722 -1.262 1.00 0.50 N ATOM 1954 CA ALA A 117 13.410 -12.058 -1.610 1.00 0.54 C ATOM 1955 C ALA A 117 13.215 -12.199 -3.117 1.00 0.54 C ATOM 1956 O ALA A 117 13.283 -13.303 -3.659 1.00 0.58 O ATOM 1957 CB ALA A 117 12.112 -12.375 -0.883 1.00 0.57 C ATOM 0 H ALA A 117 13.206 -10.166 -0.735 1.00 0.50 H new ATOM 0 HA ALA A 117 14.173 -12.770 -1.297 1.00 0.54 H new ATOM 0 HB1 ALA A 117 11.778 -13.376 -1.155 1.00 0.57 H new ATOM 0 HB2 ALA A 117 12.277 -12.328 0.193 1.00 0.57 H new ATOM 0 HB3 ALA A 117 11.350 -11.649 -1.165 1.00 0.57 H new ATOM 1963 N ARG A 118 12.968 -11.080 -3.793 1.00 0.50 N ATOM 1964 CA ARG A 118 12.756 -11.101 -5.239 1.00 0.51 C ATOM 1965 C ARG A 118 14.061 -11.400 -5.953 1.00 0.52 C ATOM 1966 O ARG A 118 14.080 -12.060 -6.988 1.00 0.55 O ATOM 1967 CB ARG A 118 12.204 -9.764 -5.745 1.00 0.49 C ATOM 1968 CG ARG A 118 11.032 -9.235 -4.939 1.00 0.49 C ATOM 1969 CD ARG A 118 9.894 -10.239 -4.847 1.00 0.58 C ATOM 1970 NE ARG A 118 9.251 -10.488 -6.138 1.00 0.84 N ATOM 1971 CZ ARG A 118 8.055 -11.066 -6.263 1.00 1.16 C ATOM 1972 NH1 ARG A 118 7.407 -11.498 -5.187 1.00 1.23 N ATOM 1973 NH2 ARG A 118 7.507 -11.221 -7.458 1.00 1.75 N ATOM 0 H ARG A 118 12.910 -10.155 -3.368 1.00 0.50 H new ATOM 0 HA ARG A 118 12.026 -11.882 -5.452 1.00 0.51 H new ATOM 0 HB2 ARG A 118 13.004 -9.024 -5.732 1.00 0.49 H new ATOM 0 HB3 ARG A 118 11.894 -9.880 -6.784 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.370 -8.980 -3.935 1.00 0.49 H new ATOM 0 HG3 ARG A 118 10.666 -8.315 -5.395 1.00 0.49 H new ATOM 0 HD2 ARG A 118 10.276 -11.179 -4.449 1.00 0.58 H new ATOM 0 HD3 ARG A 118 9.149 -9.873 -4.140 1.00 0.58 H new ATOM 0 HE ARG A 118 9.743 -10.205 -6.986 1.00 0.84 H new ATOM 0 HH11 ARG A 118 7.824 -11.388 -4.262 1.00 1.23 H new ATOM 0 HH12 ARG A 118 6.493 -11.940 -5.285 1.00 1.23 H new ATOM 0 HH21 ARG A 118 7.999 -10.898 -8.291 1.00 1.75 H new ATOM 0 HH22 ARG A 118 6.592 -11.664 -7.546 1.00 1.75 H new ATOM 1987 N ILE A 119 15.151 -10.902 -5.393 1.00 0.52 N ATOM 1988 CA ILE A 119 16.467 -11.087 -5.985 1.00 0.54 C ATOM 1989 C ILE A 119 17.017 -12.457 -5.628 1.00 0.58 C ATOM 1990 O ILE A 119 17.705 -13.095 -6.424 1.00 0.66 O ATOM 1991 CB ILE A 119 17.463 -10.019 -5.487 1.00 0.51 C ATOM 1992 CG1 ILE A 119 16.748 -8.693 -5.210 1.00 0.49 C ATOM 1993 CG2 ILE A 119 18.571 -9.818 -6.508 1.00 0.56 C ATOM 1994 CD1 ILE A 119 16.123 -8.059 -6.434 1.00 0.69 C ATOM 0 H ILE A 119 15.151 -10.365 -4.526 1.00 0.52 H new ATOM 0 HA ILE A 119 16.352 -10.994 -7.065 1.00 0.54 H new ATOM 0 HB ILE A 119 17.903 -10.370 -4.553 1.00 0.51 H new ATOM 0 HG12 ILE A 119 15.971 -8.861 -4.464 1.00 0.49 H new ATOM 0 HG13 ILE A 119 17.461 -7.992 -4.775 1.00 0.49 H new ATOM 0 HG21 ILE A 119 19.267 -9.062 -6.145 1.00 0.56 H new ATOM 0 HG22 ILE A 119 19.102 -10.758 -6.659 1.00 0.56 H new ATOM 0 HG23 ILE A 119 18.139 -9.490 -7.453 1.00 0.56 H new ATOM 0 HD11 ILE A 119 15.637 -7.125 -6.152 1.00 0.69 H new ATOM 0 HD12 ILE A 119 16.897 -7.857 -7.174 1.00 0.69 H new ATOM 0 HD13 ILE A 119 15.384 -8.738 -6.858 1.00 0.69 H new ATOM 2006 N GLY A 120 16.701 -12.904 -4.425 1.00 0.57 N ATOM 2007 CA GLY A 120 17.224 -14.162 -3.947 1.00 0.62 C ATOM 2008 C GLY A 120 18.156 -13.974 -2.772 1.00 0.64 C ATOM 2009 O GLY A 120 19.015 -14.815 -2.505 1.00 0.70 O ATOM 0 H GLY A 120 16.090 -12.416 -3.770 1.00 0.57 H new ATOM 0 HA2 GLY A 120 16.398 -14.811 -3.655 1.00 0.62 H new ATOM 0 HA3 GLY A 120 17.755 -14.665 -4.755 1.00 0.62 H new ATOM 2013 N ILE A 121 17.992 -12.857 -2.079 1.00 0.66 N ATOM 2014 CA ILE A 121 18.785 -12.561 -0.900 1.00 0.71 C ATOM 2015 C ILE A 121 18.001 -12.956 0.345 1.00 0.82 C ATOM 2016 O ILE A 121 16.864 -12.519 0.531 1.00 1.54 O ATOM 2017 CB ILE A 121 19.135 -11.060 -0.817 1.00 0.63 C ATOM 2018 CG1 ILE A 121 19.767 -10.570 -2.126 1.00 0.59 C ATOM 2019 CG2 ILE A 121 20.071 -10.801 0.354 1.00 0.67 C ATOM 2020 CD1 ILE A 121 19.945 -9.063 -2.190 1.00 0.56 C ATOM 0 H ILE A 121 17.310 -12.137 -2.317 1.00 0.66 H new ATOM 0 HA ILE A 121 19.714 -13.128 -0.965 1.00 0.71 H new ATOM 0 HB ILE A 121 18.212 -10.503 -0.658 1.00 0.63 H new ATOM 0 HG12 ILE A 121 20.739 -11.048 -2.251 1.00 0.59 H new ATOM 0 HG13 ILE A 121 19.145 -10.890 -2.962 1.00 0.59 H new ATOM 0 HG21 ILE A 121 20.310 -9.739 0.401 1.00 0.67 H new ATOM 0 HG22 ILE A 121 19.586 -11.105 1.282 1.00 0.67 H new ATOM 0 HG23 ILE A 121 20.989 -11.374 0.220 1.00 0.67 H new ATOM 0 HD11 ILE A 121 20.397 -8.790 -3.144 1.00 0.56 H new ATOM 0 HD12 ILE A 121 18.973 -8.578 -2.097 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.592 -8.738 -1.375 1.00 0.56 H new ATOM 2032 N THR A 122 18.591 -13.788 1.183 1.00 0.96 N ATOM 2033 CA THR A 122 17.910 -14.265 2.375 1.00 1.00 C ATOM 2034 C THR A 122 18.134 -13.319 3.553 1.00 0.90 C ATOM 2035 O THR A 122 17.194 -12.982 4.280 1.00 1.04 O ATOM 2036 CB THR A 122 18.379 -15.685 2.744 1.00 1.18 C ATOM 2037 OG1 THR A 122 18.250 -16.545 1.603 1.00 1.55 O ATOM 2038 CG2 THR A 122 17.559 -16.249 3.897 1.00 1.65 C ATOM 0 H THR A 122 19.538 -14.147 1.062 1.00 0.96 H new ATOM 0 HA THR A 122 16.843 -14.295 2.154 1.00 1.00 H new ATOM 0 HB THR A 122 19.422 -15.631 3.055 1.00 1.18 H new ATOM 0 HG1 THR A 122 18.550 -17.448 1.838 1.00 1.55 H new ATOM 0 HG21 THR A 122 17.911 -17.252 4.137 1.00 1.65 H new ATOM 0 HG22 THR A 122 17.670 -15.607 4.771 1.00 1.65 H new ATOM 0 HG23 THR A 122 16.509 -16.292 3.609 1.00 1.65 H new ATOM 2046 N ASN A 123 19.372 -12.877 3.731 1.00 0.91 N ATOM 2047 CA ASN A 123 19.702 -11.972 4.824 1.00 0.87 C ATOM 2048 C ASN A 123 19.438 -10.535 4.407 1.00 0.77 C ATOM 2049 O ASN A 123 20.255 -9.908 3.740 1.00 1.05 O ATOM 2050 CB ASN A 123 21.160 -12.143 5.258 1.00 1.10 C ATOM 2051 CG ASN A 123 21.467 -11.419 6.557 1.00 1.31 C ATOM 2052 OD1 ASN A 123 20.588 -11.228 7.398 1.00 2.13 O ATOM 2053 ND2 ASN A 123 22.714 -11.022 6.737 1.00 1.50 N ATOM 0 H ASN A 123 20.161 -13.129 3.136 1.00 0.91 H new ATOM 0 HA ASN A 123 19.067 -12.217 5.676 1.00 0.87 H new ATOM 0 HB2 ASN A 123 21.379 -13.204 5.376 1.00 1.10 H new ATOM 0 HB3 ASN A 123 21.816 -11.768 4.473 1.00 1.10 H new ATOM 0 HD21 ASN A 123 22.976 -10.539 7.596 1.00 1.50 H new ATOM 0 HD22 ASN A 123 23.414 -11.199 6.017 1.00 1.50 H new ATOM 2060 N HIS A 124 18.278 -10.027 4.792 1.00 0.61 N ATOM 2061 CA HIS A 124 17.856 -8.691 4.390 1.00 0.59 C ATOM 2062 C HIS A 124 18.021 -7.702 5.534 1.00 0.57 C ATOM 2063 O HIS A 124 17.802 -6.503 5.368 1.00 0.66 O ATOM 2064 CB HIS A 124 16.395 -8.697 3.913 1.00 0.63 C ATOM 2065 CG HIS A 124 15.404 -9.089 4.971 1.00 0.58 C ATOM 2066 ND1 HIS A 124 14.727 -8.176 5.748 1.00 0.55 N ATOM 2067 CD2 HIS A 124 14.978 -10.308 5.373 1.00 0.66 C ATOM 2068 CE1 HIS A 124 13.935 -8.817 6.585 1.00 0.57 C ATOM 2069 NE2 HIS A 124 14.066 -10.114 6.381 1.00 0.66 N ATOM 0 H HIS A 124 17.609 -10.520 5.384 1.00 0.61 H new ATOM 0 HA HIS A 124 18.493 -8.379 3.563 1.00 0.59 H new ATOM 0 HB2 HIS A 124 16.141 -7.704 3.543 1.00 0.63 H new ATOM 0 HB3 HIS A 124 16.302 -9.384 3.072 1.00 0.63 H new ATOM 0 HD2 HIS A 124 15.297 -11.260 4.974 1.00 0.66 H new ATOM 0 HE1 HIS A 124 13.287 -8.357 7.316 1.00 0.57 H new ATOM 0 HE2 HIS A 124 13.573 -10.849 6.887 1.00 0.66 H new ATOM 2078 N ASP A 125 18.406 -8.203 6.697 1.00 0.62 N ATOM 2079 CA ASP A 125 18.565 -7.351 7.864 1.00 0.72 C ATOM 2080 C ASP A 125 19.860 -6.561 7.770 1.00 0.64 C ATOM 2081 O ASP A 125 20.040 -5.552 8.452 1.00 0.66 O ATOM 2082 CB ASP A 125 18.541 -8.178 9.149 1.00 0.97 C ATOM 2083 CG ASP A 125 18.509 -7.306 10.389 1.00 1.54 C ATOM 2084 OD1 ASP A 125 17.673 -6.378 10.444 1.00 2.14 O ATOM 2085 OD2 ASP A 125 19.315 -7.539 11.313 1.00 2.11 O ATOM 0 H ASP A 125 18.613 -9.189 6.857 1.00 0.62 H new ATOM 0 HA ASP A 125 17.729 -6.652 7.891 1.00 0.72 H new ATOM 0 HB2 ASP A 125 17.668 -8.831 9.143 1.00 0.97 H new ATOM 0 HB3 ASP A 125 19.420 -8.822 9.182 1.00 0.97 H new ATOM 2090 N GLU A 126 20.745 -6.999 6.882 1.00 0.62 N ATOM 2091 CA GLU A 126 22.033 -6.351 6.712 1.00 0.62 C ATOM 2092 C GLU A 126 21.941 -5.212 5.700 1.00 0.52 C ATOM 2093 O GLU A 126 22.957 -4.690 5.247 1.00 0.61 O ATOM 2094 CB GLU A 126 23.097 -7.368 6.279 1.00 0.76 C ATOM 2095 CG GLU A 126 22.760 -8.117 4.999 1.00 1.19 C ATOM 2096 CD GLU A 126 23.912 -8.968 4.503 1.00 1.84 C ATOM 2097 OE1 GLU A 126 25.036 -8.442 4.379 1.00 2.27 O ATOM 2098 OE2 GLU A 126 23.704 -10.173 4.237 1.00 2.30 O ATOM 0 H GLU A 126 20.591 -7.800 6.270 1.00 0.62 H new ATOM 0 HA GLU A 126 22.328 -5.930 7.673 1.00 0.62 H new ATOM 0 HB2 GLU A 126 24.046 -6.849 6.144 1.00 0.76 H new ATOM 0 HB3 GLU A 126 23.241 -8.091 7.082 1.00 0.76 H new ATOM 0 HG2 GLU A 126 21.891 -8.752 5.172 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.482 -7.401 4.225 1.00 1.19 H new ATOM 2105 N TYR A 127 20.720 -4.816 5.364 1.00 0.43 N ATOM 2106 CA TYR A 127 20.502 -3.738 4.411 1.00 0.38 C ATOM 2107 C TYR A 127 19.593 -2.670 4.992 1.00 0.39 C ATOM 2108 O TYR A 127 18.732 -2.960 5.825 1.00 0.42 O ATOM 2109 CB TYR A 127 19.852 -4.259 3.132 1.00 0.36 C ATOM 2110 CG TYR A 127 20.608 -5.359 2.449 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.836 -5.118 1.862 1.00 0.38 C ATOM 2112 CD2 TYR A 127 20.082 -6.636 2.384 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.525 -6.121 1.226 1.00 0.41 C ATOM 2114 CE2 TYR A 127 20.758 -7.651 1.751 1.00 0.43 C ATOM 2115 CZ TYR A 127 21.985 -7.392 1.170 1.00 0.43 C ATOM 2116 OH TYR A 127 22.675 -8.400 0.533 1.00 0.49 O ATOM 0 H TYR A 127 19.865 -5.227 5.739 1.00 0.43 H new ATOM 0 HA TYR A 127 21.481 -3.314 4.188 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.851 -4.618 3.370 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.736 -3.429 2.435 1.00 0.36 H new ATOM 0 HD1 TYR A 127 22.260 -4.126 1.904 1.00 0.38 H new ATOM 0 HD2 TYR A 127 19.124 -6.839 2.838 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.484 -5.918 0.772 1.00 0.41 H new ATOM 0 HE2 TYR A 127 20.334 -8.643 1.708 1.00 0.43 H new ATOM 0 HH TYR A 127 22.461 -9.259 0.953 1.00 0.49 H new ATOM 2126 N SER A 128 19.785 -1.443 4.550 1.00 0.40 N ATOM 2127 CA SER A 128 18.861 -0.363 4.850 1.00 0.42 C ATOM 2128 C SER A 128 18.203 0.105 3.561 1.00 0.41 C ATOM 2129 O SER A 128 18.486 -0.432 2.487 1.00 0.54 O ATOM 2130 CB SER A 128 19.588 0.803 5.513 1.00 0.47 C ATOM 2131 OG SER A 128 20.293 0.375 6.662 1.00 1.13 O ATOM 0 H SER A 128 20.581 -1.166 3.976 1.00 0.40 H new ATOM 0 HA SER A 128 18.102 -0.730 5.541 1.00 0.42 H new ATOM 0 HB2 SER A 128 20.282 1.254 4.804 1.00 0.47 H new ATOM 0 HB3 SER A 128 18.869 1.574 5.790 1.00 0.47 H new ATOM 0 HG SER A 128 20.752 1.140 7.068 1.00 1.13 H new ATOM 2137 N LEU A 129 17.336 1.100 3.650 1.00 0.42 N ATOM 2138 CA LEU A 129 16.691 1.621 2.457 1.00 0.42 C ATOM 2139 C LEU A 129 17.028 3.096 2.313 1.00 0.43 C ATOM 2140 O LEU A 129 17.124 3.804 3.304 1.00 0.48 O ATOM 2141 CB LEU A 129 15.169 1.406 2.538 1.00 0.43 C ATOM 2142 CG LEU A 129 14.439 1.155 1.203 1.00 0.45 C ATOM 2143 CD1 LEU A 129 14.457 2.384 0.311 1.00 1.33 C ATOM 2144 CD2 LEU A 129 15.056 -0.025 0.469 1.00 1.13 C ATOM 0 H LEU A 129 17.066 1.557 4.521 1.00 0.42 H new ATOM 0 HA LEU A 129 17.055 1.088 1.578 1.00 0.42 H new ATOM 0 HB2 LEU A 129 14.978 0.558 3.196 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.725 2.282 3.010 1.00 0.43 H new ATOM 0 HG LEU A 129 13.400 0.927 1.441 1.00 0.45 H new ATOM 0 HD11 LEU A 129 13.933 2.166 -0.619 1.00 1.33 H new ATOM 0 HD12 LEU A 129 13.963 3.211 0.821 1.00 1.33 H new ATOM 0 HD13 LEU A 129 15.489 2.658 0.090 1.00 1.33 H new ATOM 0 HD21 LEU A 129 14.527 -0.186 -0.470 1.00 1.13 H new ATOM 0 HD22 LEU A 129 16.106 0.183 0.263 1.00 1.13 H new ATOM 0 HD23 LEU A 129 14.978 -0.919 1.087 1.00 1.13 H new ATOM 2156 N VAL A 130 17.238 3.547 1.092 1.00 0.42 N ATOM 2157 CA VAL A 130 17.489 4.957 0.838 1.00 0.46 C ATOM 2158 C VAL A 130 16.730 5.405 -0.402 1.00 0.46 C ATOM 2159 O VAL A 130 16.961 4.910 -1.509 1.00 0.45 O ATOM 2160 CB VAL A 130 19.004 5.255 0.703 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.678 4.225 -0.167 1.00 0.49 C ATOM 2162 CG2 VAL A 130 19.252 6.644 0.143 1.00 0.60 C ATOM 0 H VAL A 130 17.240 2.959 0.258 1.00 0.42 H new ATOM 0 HA VAL A 130 17.128 5.526 1.695 1.00 0.46 H new ATOM 0 HB VAL A 130 19.432 5.209 1.704 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.740 4.455 -0.247 1.00 0.49 H new ATOM 0 HG12 VAL A 130 19.553 3.237 0.276 1.00 0.49 H new ATOM 0 HG13 VAL A 130 19.228 4.237 -1.160 1.00 0.49 H new ATOM 0 HG21 VAL A 130 20.325 6.818 0.062 1.00 0.60 H new ATOM 0 HG22 VAL A 130 18.796 6.725 -0.844 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.813 7.388 0.808 1.00 0.60 H new ATOM 2172 N ARG A 131 15.794 6.316 -0.208 1.00 0.48 N ATOM 2173 CA ARG A 131 14.968 6.787 -1.298 1.00 0.50 C ATOM 2174 C ARG A 131 15.504 8.091 -1.851 1.00 0.57 C ATOM 2175 O ARG A 131 15.288 9.159 -1.270 1.00 0.64 O ATOM 2176 CB ARG A 131 13.538 7.029 -0.822 1.00 0.54 C ATOM 2177 CG ARG A 131 12.894 5.852 -0.120 1.00 0.51 C ATOM 2178 CD ARG A 131 11.455 6.173 0.243 1.00 0.62 C ATOM 2179 NE ARG A 131 10.643 6.448 -0.943 1.00 0.96 N ATOM 2180 CZ ARG A 131 9.759 5.598 -1.464 1.00 1.65 C ATOM 2181 NH1 ARG A 131 9.578 4.400 -0.915 1.00 2.18 N ATOM 2182 NH2 ARG A 131 9.052 5.952 -2.532 1.00 2.01 N ATOM 0 H ARG A 131 15.589 6.743 0.695 1.00 0.48 H new ATOM 0 HA ARG A 131 14.981 6.020 -2.072 1.00 0.50 H new ATOM 0 HB2 ARG A 131 13.535 7.883 -0.145 1.00 0.54 H new ATOM 0 HB3 ARG A 131 12.925 7.301 -1.681 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.925 4.974 -0.765 1.00 0.51 H new ATOM 0 HG3 ARG A 131 13.456 5.606 0.781 1.00 0.51 H new ATOM 0 HD2 ARG A 131 11.024 5.336 0.793 1.00 0.62 H new ATOM 0 HD3 ARG A 131 11.432 7.037 0.907 1.00 0.62 H new ATOM 0 HE ARG A 131 10.762 7.351 -1.402 1.00 0.96 H new ATOM 0 HH11 ARG A 131 10.117 4.129 -0.092 1.00 2.18 H new ATOM 0 HH12 ARG A 131 8.900 3.752 -1.317 1.00 2.18 H new ATOM 0 HH21 ARG A 131 9.187 6.872 -2.951 1.00 2.01 H new ATOM 0 HH22 ARG A 131 8.375 5.303 -2.933 1.00 2.01 H new ATOM 2196 N GLU A 132 16.172 8.017 -2.984 1.00 0.58 N ATOM 2197 CA GLU A 132 16.576 9.222 -3.668 1.00 0.66 C ATOM 2198 C GLU A 132 15.426 9.707 -4.525 1.00 0.73 C ATOM 2199 O GLU A 132 15.112 9.131 -5.579 1.00 0.74 O ATOM 2200 CB GLU A 132 17.845 9.007 -4.493 1.00 0.68 C ATOM 2201 CG GLU A 132 19.061 8.682 -3.641 1.00 0.64 C ATOM 2202 CD GLU A 132 20.363 9.113 -4.282 1.00 0.72 C ATOM 2203 OE1 GLU A 132 20.373 10.144 -4.983 1.00 1.05 O ATOM 2204 OE2 GLU A 132 21.388 8.425 -4.090 1.00 0.90 O ATOM 0 H GLU A 132 16.442 7.147 -3.443 1.00 0.58 H new ATOM 0 HA GLU A 132 16.820 9.987 -2.931 1.00 0.66 H new ATOM 0 HB2 GLU A 132 17.678 8.196 -5.202 1.00 0.68 H new ATOM 0 HB3 GLU A 132 18.048 9.904 -5.078 1.00 0.68 H new ATOM 0 HG2 GLU A 132 18.960 9.170 -2.672 1.00 0.64 H new ATOM 0 HG3 GLU A 132 19.091 7.608 -3.455 1.00 0.64 H new ATOM 2211 N LEU A 133 14.776 10.749 -4.042 1.00 0.80 N ATOM 2212 CA LEU A 133 13.529 11.197 -4.632 1.00 0.87 C ATOM 2213 C LEU A 133 13.746 12.203 -5.749 1.00 0.97 C ATOM 2214 O LEU A 133 14.870 12.489 -6.164 1.00 1.02 O ATOM 2215 CB LEU A 133 12.614 11.839 -3.584 1.00 0.92 C ATOM 2216 CG LEU A 133 12.328 11.017 -2.326 1.00 0.87 C ATOM 2217 CD1 LEU A 133 11.187 11.649 -1.551 1.00 0.97 C ATOM 2218 CD2 LEU A 133 11.996 9.578 -2.671 1.00 0.80 C ATOM 0 H LEU A 133 15.090 11.300 -3.244 1.00 0.80 H new ATOM 0 HA LEU A 133 13.060 10.303 -5.043 1.00 0.87 H new ATOM 0 HB2 LEU A 133 13.059 12.786 -3.278 1.00 0.92 H new ATOM 0 HB3 LEU A 133 11.662 12.073 -4.061 1.00 0.92 H new ATOM 0 HG LEU A 133 13.226 11.011 -1.708 1.00 0.87 H new ATOM 0 HD11 LEU A 133 10.986 11.061 -0.656 1.00 0.97 H new ATOM 0 HD12 LEU A 133 11.460 12.665 -1.265 1.00 0.97 H new ATOM 0 HD13 LEU A 133 10.294 11.676 -2.175 1.00 0.97 H new ATOM 0 HD21 LEU A 133 11.798 9.021 -1.755 1.00 0.80 H new ATOM 0 HD22 LEU A 133 11.113 9.551 -3.310 1.00 0.80 H new ATOM 0 HD23 LEU A 133 12.838 9.126 -3.196 1.00 0.80 H new ATOM 2230 N MET A 134 12.630 12.738 -6.194 1.00 1.04 N ATOM 2231 CA MET A 134 12.567 13.754 -7.230 1.00 1.15 C ATOM 2232 C MET A 134 11.899 14.995 -6.652 1.00 1.22 C ATOM 2233 O MET A 134 11.515 15.918 -7.371 1.00 1.29 O ATOM 2234 CB MET A 134 11.751 13.213 -8.408 1.00 1.27 C ATOM 2235 CG MET A 134 10.628 12.271 -7.974 1.00 1.36 C ATOM 2236 SD MET A 134 9.539 12.998 -6.730 1.00 1.80 S ATOM 2237 CE MET A 134 8.643 11.559 -6.158 1.00 2.03 C ATOM 0 H MET A 134 11.712 12.472 -5.836 1.00 1.04 H new ATOM 0 HA MET A 134 13.567 14.011 -7.579 1.00 1.15 H new ATOM 0 HB2 MET A 134 11.323 14.049 -8.961 1.00 1.27 H new ATOM 0 HB3 MET A 134 12.416 12.686 -9.092 1.00 1.27 H new ATOM 0 HG2 MET A 134 10.038 11.992 -8.847 1.00 1.36 H new ATOM 0 HG3 MET A 134 11.063 11.354 -7.577 1.00 1.36 H new ATOM 0 HE1 MET A 134 7.628 11.847 -5.884 1.00 2.03 H new ATOM 0 HE2 MET A 134 8.606 10.814 -6.952 1.00 2.03 H new ATOM 0 HE3 MET A 134 9.148 11.138 -5.289 1.00 2.03 H new ATOM 2247 N GLU A 135 11.771 14.982 -5.332 1.00 1.27 N ATOM 2248 CA GLU A 135 10.987 15.966 -4.603 1.00 1.39 C ATOM 2249 C GLU A 135 11.522 17.380 -4.749 1.00 1.41 C ATOM 2250 O GLU A 135 12.708 17.636 -4.549 1.00 1.45 O ATOM 2251 CB GLU A 135 10.944 15.597 -3.123 1.00 1.48 C ATOM 2252 CG GLU A 135 9.824 14.642 -2.770 1.00 1.58 C ATOM 2253 CD GLU A 135 8.464 15.270 -2.963 1.00 1.83 C ATOM 2254 OE1 GLU A 135 8.112 16.199 -2.207 1.00 2.04 O ATOM 2255 OE2 GLU A 135 7.732 14.831 -3.869 1.00 2.29 O ATOM 0 H GLU A 135 12.212 14.283 -4.734 1.00 1.27 H new ATOM 0 HA GLU A 135 9.986 15.952 -5.035 1.00 1.39 H new ATOM 0 HB2 GLU A 135 11.896 15.147 -2.841 1.00 1.48 H new ATOM 0 HB3 GLU A 135 10.834 16.507 -2.533 1.00 1.48 H new ATOM 0 HG2 GLU A 135 9.902 13.748 -3.388 1.00 1.58 H new ATOM 0 HG3 GLU A 135 9.932 14.323 -1.733 1.00 1.58 H new ATOM 2262 N GLU A 136 10.627 18.293 -5.093 1.00 1.46 N ATOM 2263 CA GLU A 136 10.926 19.711 -5.059 1.00 1.52 C ATOM 2264 C GLU A 136 10.785 20.210 -3.624 1.00 1.52 C ATOM 2265 O GLU A 136 11.402 21.196 -3.220 1.00 1.59 O ATOM 2266 CB GLU A 136 9.967 20.468 -5.981 1.00 1.67 C ATOM 2267 CG GLU A 136 8.519 20.425 -5.517 1.00 1.73 C ATOM 2268 CD GLU A 136 7.580 21.186 -6.425 1.00 1.93 C ATOM 2269 OE1 GLU A 136 7.411 22.406 -6.225 1.00 2.12 O ATOM 2270 OE2 GLU A 136 6.993 20.565 -7.329 1.00 1.99 O ATOM 0 H GLU A 136 9.680 18.071 -5.401 1.00 1.46 H new ATOM 0 HA GLU A 136 11.945 19.883 -5.406 1.00 1.52 H new ATOM 0 HB2 GLU A 136 10.287 21.508 -6.051 1.00 1.67 H new ATOM 0 HB3 GLU A 136 10.032 20.047 -6.984 1.00 1.67 H new ATOM 0 HG2 GLU A 136 8.194 19.386 -5.457 1.00 1.73 H new ATOM 0 HG3 GLU A 136 8.454 20.838 -4.510 1.00 1.73 H new ATOM 2277 N LYS A 137 9.969 19.494 -2.855 1.00 1.53 N ATOM 2278 CA LYS A 137 9.704 19.846 -1.470 1.00 1.61 C ATOM 2279 C LYS A 137 10.806 19.315 -0.564 1.00 1.55 C ATOM 2280 O LYS A 137 11.612 20.082 -0.036 1.00 1.63 O ATOM 2281 CB LYS A 137 8.360 19.270 -1.015 1.00 1.72 C ATOM 2282 CG LYS A 137 7.184 19.657 -1.894 1.00 1.83 C ATOM 2283 CD LYS A 137 5.891 19.068 -1.357 1.00 2.14 C ATOM 2284 CE LYS A 137 4.709 19.372 -2.262 1.00 2.31 C ATOM 2285 NZ LYS A 137 4.838 18.721 -3.593 1.00 2.98 N ATOM 0 H LYS A 137 9.478 18.659 -3.175 1.00 1.53 H new ATOM 0 HA LYS A 137 9.672 20.933 -1.402 1.00 1.61 H new ATOM 0 HB2 LYS A 137 8.435 18.183 -0.987 1.00 1.72 H new ATOM 0 HB3 LYS A 137 8.162 19.603 0.004 1.00 1.72 H new ATOM 0 HG2 LYS A 137 7.102 20.743 -1.942 1.00 1.83 H new ATOM 0 HG3 LYS A 137 7.354 19.305 -2.912 1.00 1.83 H new ATOM 0 HD2 LYS A 137 6.000 17.988 -1.253 1.00 2.14 H new ATOM 0 HD3 LYS A 137 5.697 19.466 -0.361 1.00 2.14 H new ATOM 0 HE2 LYS A 137 3.790 19.035 -1.782 1.00 2.31 H new ATOM 0 HE3 LYS A 137 4.623 20.451 -2.394 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 3.932 18.783 -4.099 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 5.576 19.203 -4.145 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 5.096 17.722 -3.467 1.00 2.98 H new ATOM 2299 N LYS A 138 10.836 17.997 -0.397 1.00 1.47 N ATOM 2300 CA LYS A 138 11.793 17.361 0.496 1.00 1.45 C ATOM 2301 C LYS A 138 13.202 17.413 -0.092 1.00 1.34 C ATOM 2302 O LYS A 138 14.081 18.082 0.451 1.00 1.43 O ATOM 2303 CB LYS A 138 11.394 15.904 0.765 1.00 1.48 C ATOM 2304 CG LYS A 138 12.174 15.257 1.900 1.00 1.52 C ATOM 2305 CD LYS A 138 11.722 13.825 2.149 1.00 1.58 C ATOM 2306 CE LYS A 138 10.313 13.751 2.724 1.00 1.42 C ATOM 2307 NZ LYS A 138 10.228 14.341 4.086 1.00 1.76 N ATOM 0 H LYS A 138 10.206 17.349 -0.870 1.00 1.47 H new ATOM 0 HA LYS A 138 11.788 17.909 1.438 1.00 1.45 H new ATOM 0 HB2 LYS A 138 10.330 15.865 0.998 1.00 1.48 H new ATOM 0 HB3 LYS A 138 11.542 15.322 -0.144 1.00 1.48 H new ATOM 0 HG2 LYS A 138 13.238 15.267 1.662 1.00 1.52 H new ATOM 0 HG3 LYS A 138 12.045 15.843 2.810 1.00 1.52 H new ATOM 0 HD2 LYS A 138 11.759 13.268 1.213 1.00 1.58 H new ATOM 0 HD3 LYS A 138 12.417 13.342 2.836 1.00 1.58 H new ATOM 0 HE2 LYS A 138 9.624 14.274 2.060 1.00 1.42 H new ATOM 0 HE3 LYS A 138 9.992 12.710 2.761 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 9.315 14.090 4.516 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 11.001 13.970 4.674 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 10.308 15.376 4.022 1.00 1.76 H new ATOM 2321 N ASP A 169 13.393 16.713 -1.215 1.00 1.23 N ATOM 2322 CA ASP A 169 14.704 16.574 -1.848 1.00 1.18 C ATOM 2323 C ASP A 169 15.691 16.001 -0.853 1.00 1.11 C ATOM 2324 O ASP A 169 16.503 16.711 -0.255 1.00 1.30 O ATOM 2325 CB ASP A 169 15.213 17.901 -2.419 1.00 1.35 C ATOM 2326 CG ASP A 169 16.526 17.734 -3.159 1.00 1.44 C ATOM 2327 OD1 ASP A 169 16.555 17.004 -4.173 1.00 1.48 O ATOM 2328 OD2 ASP A 169 17.530 18.348 -2.742 1.00 1.59 O ATOM 0 H ASP A 169 12.643 16.228 -1.708 1.00 1.23 H new ATOM 0 HA ASP A 169 14.601 15.890 -2.690 1.00 1.18 H new ATOM 0 HB2 ASP A 169 14.466 18.315 -3.096 1.00 1.35 H new ATOM 0 HB3 ASP A 169 15.342 18.619 -1.609 1.00 1.35 H new ATOM 2333 N GLU A 170 15.585 14.707 -0.657 1.00 0.96 N ATOM 2334 CA GLU A 170 16.347 14.040 0.368 1.00 0.90 C ATOM 2335 C GLU A 170 16.783 12.665 -0.101 1.00 0.78 C ATOM 2336 O GLU A 170 16.263 12.133 -1.091 1.00 0.77 O ATOM 2337 CB GLU A 170 15.499 13.916 1.635 1.00 0.98 C ATOM 2338 CG GLU A 170 16.212 14.343 2.904 1.00 1.24 C ATOM 2339 CD GLU A 170 17.334 13.404 3.277 1.00 1.90 C ATOM 2340 OE1 GLU A 170 17.067 12.404 3.968 1.00 2.57 O ATOM 2341 OE2 GLU A 170 18.481 13.647 2.852 1.00 2.27 O ATOM 0 H GLU A 170 14.975 14.094 -1.198 1.00 0.96 H new ATOM 0 HA GLU A 170 17.239 14.628 0.584 1.00 0.90 H new ATOM 0 HB2 GLU A 170 14.599 14.519 1.517 1.00 0.98 H new ATOM 0 HB3 GLU A 170 15.177 12.880 1.743 1.00 0.98 H new ATOM 0 HG2 GLU A 170 16.612 15.348 2.772 1.00 1.24 H new ATOM 0 HG3 GLU A 170 15.494 14.390 3.723 1.00 1.24 H new ATOM 2348 N LEU A 171 17.738 12.105 0.621 1.00 0.73 N ATOM 2349 CA LEU A 171 18.213 10.759 0.371 1.00 0.67 C ATOM 2350 C LEU A 171 17.241 9.769 0.960 1.00 0.62 C ATOM 2351 O LEU A 171 17.170 8.632 0.523 1.00 0.57 O ATOM 2352 CB LEU A 171 19.586 10.553 1.004 1.00 0.71 C ATOM 2353 CG LEU A 171 20.629 11.581 0.602 1.00 0.77 C ATOM 2354 CD1 LEU A 171 21.972 11.269 1.241 1.00 0.86 C ATOM 2355 CD2 LEU A 171 20.743 11.630 -0.909 1.00 0.74 C ATOM 0 H LEU A 171 18.205 12.573 1.398 1.00 0.73 H new ATOM 0 HA LEU A 171 18.293 10.608 -0.706 1.00 0.67 H new ATOM 0 HB2 LEU A 171 19.478 10.570 2.088 1.00 0.71 H new ATOM 0 HB3 LEU A 171 19.950 9.561 0.735 1.00 0.71 H new ATOM 0 HG LEU A 171 20.315 12.561 0.961 1.00 0.77 H new ATOM 0 HD11 LEU A 171 22.702 12.019 0.938 1.00 0.86 H new ATOM 0 HD12 LEU A 171 21.870 11.280 2.326 1.00 0.86 H new ATOM 0 HD13 LEU A 171 22.309 10.284 0.918 1.00 0.86 H new ATOM 0 HD21 LEU A 171 21.492 12.369 -1.194 1.00 0.74 H new ATOM 0 HD22 LEU A 171 21.039 10.650 -1.284 1.00 0.74 H new ATOM 0 HD23 LEU A 171 19.780 11.906 -1.338 1.00 0.74 H new ATOM 2367 N ASN A 172 16.511 10.222 1.969 1.00 0.65 N ATOM 2368 CA ASN A 172 15.511 9.408 2.641 1.00 0.63 C ATOM 2369 C ASN A 172 16.059 8.034 2.980 1.00 0.57 C ATOM 2370 O ASN A 172 15.666 7.033 2.376 1.00 0.53 O ATOM 2371 CB ASN A 172 14.240 9.268 1.795 1.00 0.65 C ATOM 2372 CG ASN A 172 13.361 10.499 1.845 1.00 0.75 C ATOM 2373 OD1 ASN A 172 12.613 10.703 2.799 1.00 0.90 O ATOM 2374 ND2 ASN A 172 13.410 11.302 0.795 1.00 0.80 N ATOM 0 H ASN A 172 16.596 11.166 2.345 1.00 0.65 H new ATOM 0 HA ASN A 172 15.253 9.920 3.568 1.00 0.63 H new ATOM 0 HB2 ASN A 172 14.518 9.068 0.760 1.00 0.65 H new ATOM 0 HB3 ASN A 172 13.670 8.407 2.144 1.00 0.65 H new ATOM 0 HD21 ASN A 172 12.812 12.128 0.756 1.00 0.80 H new ATOM 0 HD22 ASN A 172 14.046 11.096 0.024 1.00 0.80 H new ATOM 2381 N TRP A 173 16.946 7.974 3.957 1.00 0.58 N ATOM 2382 CA TRP A 173 17.519 6.712 4.365 1.00 0.55 C ATOM 2383 C TRP A 173 16.578 6.088 5.385 1.00 0.54 C ATOM 2384 O TRP A 173 16.656 6.387 6.578 1.00 0.61 O ATOM 2385 CB TRP A 173 18.909 6.920 4.977 1.00 0.60 C ATOM 2386 CG TRP A 173 20.028 7.009 3.984 1.00 0.63 C ATOM 2387 CD1 TRP A 173 20.431 8.115 3.293 1.00 0.72 C ATOM 2388 CD2 TRP A 173 20.910 5.950 3.592 1.00 0.64 C ATOM 2389 NE1 TRP A 173 21.500 7.807 2.490 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.813 6.485 2.655 1.00 0.73 C ATOM 2391 CE3 TRP A 173 21.020 4.600 3.940 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.813 5.719 2.065 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 22.013 3.840 3.352 1.00 0.73 C ATOM 2394 CH2 TRP A 173 22.899 4.402 2.423 1.00 0.79 C ATOM 0 H TRP A 173 17.282 8.784 4.479 1.00 0.58 H new ATOM 0 HA TRP A 173 17.638 6.056 3.503 1.00 0.55 H new ATOM 0 HB2 TRP A 173 18.896 7.834 5.571 1.00 0.60 H new ATOM 0 HB3 TRP A 173 19.115 6.098 5.662 1.00 0.60 H new ATOM 0 HD1 TRP A 173 19.975 9.091 3.368 1.00 0.72 H new ATOM 0 HE1 TRP A 173 21.983 8.458 1.871 1.00 0.78 H new ATOM 0 HE3 TRP A 173 20.341 4.159 4.655 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 23.498 6.149 1.349 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 22.108 2.796 3.613 1.00 0.73 H new ATOM 0 HH2 TRP A 173 23.665 3.782 1.981 1.00 0.79 H new ATOM 2405 N LEU A 174 15.647 5.282 4.895 1.00 0.49 N ATOM 2406 CA LEU A 174 14.611 4.703 5.733 1.00 0.49 C ATOM 2407 C LEU A 174 15.217 3.900 6.872 1.00 0.53 C ATOM 2408 O LEU A 174 15.980 2.950 6.642 1.00 0.56 O ATOM 2409 CB LEU A 174 13.673 3.807 4.926 1.00 0.48 C ATOM 2410 CG LEU A 174 12.930 4.469 3.763 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.846 3.531 3.269 1.00 0.52 C ATOM 2412 CD2 LEU A 174 12.332 5.813 4.169 1.00 0.54 C ATOM 0 H LEU A 174 15.590 5.013 3.913 1.00 0.49 H new ATOM 0 HA LEU A 174 14.035 5.532 6.144 1.00 0.49 H new ATOM 0 HB2 LEU A 174 14.254 2.974 4.530 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.934 3.385 5.607 1.00 0.48 H new ATOM 0 HG LEU A 174 13.642 4.664 2.961 1.00 0.50 H new ATOM 0 HD11 LEU A 174 11.312 3.996 2.440 1.00 0.52 H new ATOM 0 HD12 LEU A 174 12.298 2.598 2.932 1.00 0.52 H new ATOM 0 HD13 LEU A 174 11.147 3.323 4.080 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.813 6.252 3.317 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.627 5.665 4.987 1.00 0.54 H new ATOM 0 HD23 LEU A 174 13.129 6.483 4.493 1.00 0.54 H new ATOM 2424 N ASP A 175 14.818 4.280 8.090 1.00 0.61 N ATOM 2425 CA ASP A 175 15.336 3.708 9.338 1.00 0.72 C ATOM 2426 C ASP A 175 14.835 2.283 9.553 1.00 0.68 C ATOM 2427 O ASP A 175 15.082 1.680 10.600 1.00 0.75 O ATOM 2428 CB ASP A 175 14.867 4.553 10.530 1.00 0.93 C ATOM 2429 CG ASP A 175 14.941 6.046 10.279 1.00 1.83 C ATOM 2430 OD1 ASP A 175 13.972 6.607 9.716 1.00 2.37 O ATOM 2431 OD2 ASP A 175 15.953 6.669 10.657 1.00 2.56 O ATOM 0 H ASP A 175 14.116 5.004 8.239 1.00 0.61 H new ATOM 0 HA ASP A 175 16.423 3.701 9.264 1.00 0.72 H new ATOM 0 HB2 ASP A 175 13.839 4.284 10.774 1.00 0.93 H new ATOM 0 HB3 ASP A 175 15.476 4.308 11.401 1.00 0.93 H new ATOM 2436 N HIS A 176 14.123 1.769 8.557 1.00 0.66 N ATOM 2437 CA HIS A 176 13.418 0.496 8.654 1.00 0.71 C ATOM 2438 C HIS A 176 12.247 0.582 9.618 1.00 0.83 C ATOM 2439 O HIS A 176 11.669 -0.429 9.998 1.00 1.10 O ATOM 2440 CB HIS A 176 14.345 -0.656 9.033 1.00 0.71 C ATOM 2441 CG HIS A 176 14.986 -1.267 7.838 1.00 0.69 C ATOM 2442 ND1 HIS A 176 14.278 -1.985 6.904 1.00 0.77 N ATOM 2443 CD2 HIS A 176 16.250 -1.208 7.385 1.00 0.67 C ATOM 2444 CE1 HIS A 176 15.078 -2.335 5.924 1.00 0.76 C ATOM 2445 NE2 HIS A 176 16.290 -1.881 6.190 1.00 0.69 N ATOM 0 H HIS A 176 14.018 2.228 7.652 1.00 0.66 H new ATOM 0 HA HIS A 176 13.028 0.283 7.659 1.00 0.71 H new ATOM 0 HB2 HIS A 176 15.116 -0.293 9.713 1.00 0.71 H new ATOM 0 HB3 HIS A 176 13.778 -1.417 9.570 1.00 0.71 H new ATOM 0 HD2 HIS A 176 17.081 -0.720 7.872 1.00 0.67 H new ATOM 0 HE1 HIS A 176 14.794 -2.899 5.048 1.00 0.76 H new ATOM 0 HE2 HIS A 176 17.116 -2.009 5.606 1.00 0.69 H new ATOM 2454 N GLY A 177 11.867 1.802 9.952 1.00 0.82 N ATOM 2455 CA GLY A 177 10.799 2.016 10.909 1.00 0.96 C ATOM 2456 C GLY A 177 9.936 3.181 10.504 1.00 1.00 C ATOM 2457 O GLY A 177 9.271 3.801 11.328 1.00 1.34 O ATOM 0 H GLY A 177 12.280 2.655 9.576 1.00 0.82 H new ATOM 0 HA2 GLY A 177 10.189 1.116 10.985 1.00 0.96 H new ATOM 0 HA3 GLY A 177 11.222 2.199 11.897 1.00 0.96 H new ATOM 2461 N ARG A 178 9.956 3.474 9.216 1.00 0.90 N ATOM 2462 CA ARG A 178 9.227 4.604 8.681 1.00 0.99 C ATOM 2463 C ARG A 178 8.101 4.120 7.781 1.00 0.87 C ATOM 2464 O ARG A 178 8.344 3.381 6.827 1.00 0.86 O ATOM 2465 CB ARG A 178 10.180 5.493 7.881 1.00 1.22 C ATOM 2466 CG ARG A 178 9.627 6.872 7.576 1.00 1.27 C ATOM 2467 CD ARG A 178 9.613 7.746 8.819 1.00 1.18 C ATOM 2468 NE ARG A 178 10.944 7.833 9.415 1.00 1.23 N ATOM 2469 CZ ARG A 178 11.367 8.839 10.179 1.00 1.74 C ATOM 2470 NH1 ARG A 178 10.551 9.838 10.490 1.00 2.16 N ATOM 2471 NH2 ARG A 178 12.610 8.836 10.642 1.00 2.18 N ATOM 0 H ARG A 178 10.474 2.939 8.519 1.00 0.90 H new ATOM 0 HA ARG A 178 8.800 5.176 9.505 1.00 0.99 H new ATOM 0 HB2 ARG A 178 11.112 5.601 8.436 1.00 1.22 H new ATOM 0 HB3 ARG A 178 10.424 4.995 6.943 1.00 1.22 H new ATOM 0 HG2 ARG A 178 10.231 7.346 6.802 1.00 1.27 H new ATOM 0 HG3 ARG A 178 8.615 6.782 7.180 1.00 1.27 H new ATOM 0 HD2 ARG A 178 9.260 8.745 8.561 1.00 1.18 H new ATOM 0 HD3 ARG A 178 8.911 7.338 9.546 1.00 1.18 H new ATOM 0 HE ARG A 178 11.595 7.069 9.233 1.00 1.23 H new ATOM 0 HH11 ARG A 178 9.592 9.840 10.144 1.00 2.16 H new ATOM 0 HH12 ARG A 178 10.883 10.604 11.076 1.00 2.16 H new ATOM 0 HH21 ARG A 178 13.238 8.065 10.413 1.00 2.18 H new ATOM 0 HH22 ARG A 178 12.938 9.604 11.227 1.00 2.18 H new ATOM 2485 N THR A 179 6.877 4.519 8.083 1.00 0.91 N ATOM 2486 CA THR A 179 5.753 4.176 7.234 1.00 0.89 C ATOM 2487 C THR A 179 5.704 5.116 6.036 1.00 0.86 C ATOM 2488 O THR A 179 5.980 6.311 6.150 1.00 0.91 O ATOM 2489 CB THR A 179 4.414 4.185 7.998 1.00 1.05 C ATOM 2490 OG1 THR A 179 3.321 3.951 7.098 1.00 1.20 O ATOM 2491 CG2 THR A 179 4.211 5.498 8.740 1.00 1.11 C ATOM 0 H THR A 179 6.639 5.076 8.903 1.00 0.91 H new ATOM 0 HA THR A 179 5.902 3.155 6.884 1.00 0.89 H new ATOM 0 HB THR A 179 4.445 3.381 8.734 1.00 1.05 H new ATOM 0 HG1 THR A 179 2.478 3.958 7.598 1.00 1.20 H new ATOM 0 HG21 THR A 179 3.258 5.474 9.269 1.00 1.11 H new ATOM 0 HG22 THR A 179 5.020 5.640 9.456 1.00 1.11 H new ATOM 0 HG23 THR A 179 4.209 6.322 8.027 1.00 1.11 H new ATOM 2499 N LEU A 180 5.346 4.558 4.897 1.00 0.84 N ATOM 2500 CA LEU A 180 5.530 5.211 3.610 1.00 0.84 C ATOM 2501 C LEU A 180 4.619 6.416 3.421 1.00 0.93 C ATOM 2502 O LEU A 180 5.030 7.428 2.852 1.00 0.97 O ATOM 2503 CB LEU A 180 5.291 4.180 2.522 1.00 0.85 C ATOM 2504 CG LEU A 180 6.011 2.858 2.778 1.00 0.83 C ATOM 2505 CD1 LEU A 180 5.544 1.789 1.814 1.00 1.08 C ATOM 2506 CD2 LEU A 180 7.515 3.054 2.687 1.00 0.90 C ATOM 0 H LEU A 180 4.917 3.635 4.834 1.00 0.84 H new ATOM 0 HA LEU A 180 6.547 5.599 3.560 1.00 0.84 H new ATOM 0 HB2 LEU A 180 4.221 3.993 2.437 1.00 0.85 H new ATOM 0 HB3 LEU A 180 5.621 4.587 1.566 1.00 0.85 H new ATOM 0 HG LEU A 180 5.767 2.522 3.786 1.00 0.83 H new ATOM 0 HD11 LEU A 180 6.073 0.858 2.019 1.00 1.08 H new ATOM 0 HD12 LEU A 180 4.472 1.632 1.936 1.00 1.08 H new ATOM 0 HD13 LEU A 180 5.750 2.106 0.792 1.00 1.08 H new ATOM 0 HD21 LEU A 180 8.017 2.104 2.871 1.00 0.90 H new ATOM 0 HD22 LEU A 180 7.775 3.415 1.692 1.00 0.90 H new ATOM 0 HD23 LEU A 180 7.833 3.783 3.432 1.00 0.90 H new ATOM 2518 N ARG A 181 3.395 6.325 3.914 1.00 1.02 N ATOM 2519 CA ARG A 181 2.443 7.418 3.763 1.00 1.13 C ATOM 2520 C ARG A 181 2.732 8.534 4.758 1.00 1.18 C ATOM 2521 O ARG A 181 2.041 9.544 4.784 1.00 1.36 O ATOM 2522 CB ARG A 181 1.010 6.915 3.919 1.00 1.22 C ATOM 2523 CG ARG A 181 0.596 5.941 2.830 1.00 1.15 C ATOM 2524 CD ARG A 181 -0.862 5.525 2.962 1.00 0.69 C ATOM 2525 NE ARG A 181 -1.208 5.095 4.322 1.00 1.10 N ATOM 2526 CZ ARG A 181 -0.593 4.122 5.002 1.00 2.02 C ATOM 2527 NH1 ARG A 181 0.309 3.341 4.413 1.00 2.54 N ATOM 2528 NH2 ARG A 181 -0.919 3.906 6.269 1.00 2.64 N ATOM 0 H ARG A 181 3.037 5.514 4.418 1.00 1.02 H new ATOM 0 HA ARG A 181 2.555 7.824 2.758 1.00 1.13 H new ATOM 0 HB2 ARG A 181 0.906 6.430 4.890 1.00 1.22 H new ATOM 0 HB3 ARG A 181 0.330 7.767 3.913 1.00 1.22 H new ATOM 0 HG2 ARG A 181 0.755 6.399 1.854 1.00 1.15 H new ATOM 0 HG3 ARG A 181 1.231 5.056 2.874 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -1.501 6.360 2.676 1.00 0.69 H new ATOM 0 HD3 ARG A 181 -1.068 4.713 2.265 1.00 0.69 H new ATOM 0 HE ARG A 181 -1.979 5.577 4.785 1.00 1.10 H new ATOM 0 HH11 ARG A 181 0.540 3.481 3.429 1.00 2.54 H new ATOM 0 HH12 ARG A 181 0.770 2.603 4.945 1.00 2.54 H new ATOM 0 HH21 ARG A 181 -1.634 4.480 6.717 1.00 2.64 H new ATOM 0 HH22 ARG A 181 -0.455 3.166 6.796 1.00 2.64 H new ATOM 2542 N GLU A 182 3.760 8.342 5.575 1.00 1.11 N ATOM 2543 CA GLU A 182 4.223 9.379 6.486 1.00 1.18 C ATOM 2544 C GLU A 182 5.420 10.098 5.867 1.00 1.16 C ATOM 2545 O GLU A 182 5.775 11.205 6.262 1.00 1.25 O ATOM 2546 CB GLU A 182 4.607 8.768 7.836 1.00 1.25 C ATOM 2547 CG GLU A 182 5.036 9.784 8.883 1.00 1.34 C ATOM 2548 CD GLU A 182 3.920 10.733 9.276 1.00 1.89 C ATOM 2549 OE1 GLU A 182 3.158 10.415 10.214 1.00 2.30 O ATOM 2550 OE2 GLU A 182 3.792 11.801 8.643 1.00 2.31 O ATOM 0 H GLU A 182 4.291 7.472 5.625 1.00 1.11 H new ATOM 0 HA GLU A 182 3.420 10.097 6.653 1.00 1.18 H new ATOM 0 HB2 GLU A 182 3.758 8.203 8.221 1.00 1.25 H new ATOM 0 HB3 GLU A 182 5.419 8.057 7.682 1.00 1.25 H new ATOM 0 HG2 GLU A 182 5.388 9.258 9.770 1.00 1.34 H new ATOM 0 HG3 GLU A 182 5.878 10.360 8.499 1.00 1.34 H new ATOM 2557 N GLN A 183 6.021 9.457 4.871 1.00 1.07 N ATOM 2558 CA GLN A 183 7.192 10.003 4.196 1.00 1.06 C ATOM 2559 C GLN A 183 6.758 10.975 3.109 1.00 1.13 C ATOM 2560 O GLN A 183 7.529 11.832 2.673 1.00 1.22 O ATOM 2561 CB GLN A 183 8.003 8.874 3.568 1.00 1.00 C ATOM 2562 CG GLN A 183 8.063 7.639 4.440 1.00 1.00 C ATOM 2563 CD GLN A 183 8.724 6.462 3.762 1.00 1.04 C ATOM 2564 OE1 GLN A 183 8.744 6.352 2.538 1.00 1.65 O ATOM 2565 NE2 GLN A 183 9.229 5.546 4.561 1.00 0.81 N ATOM 0 H GLN A 183 5.714 8.553 4.512 1.00 1.07 H new ATOM 0 HA GLN A 183 7.806 10.528 4.928 1.00 1.06 H new ATOM 0 HB2 GLN A 183 7.566 8.612 2.604 1.00 1.00 H new ATOM 0 HB3 GLN A 183 9.016 9.225 3.374 1.00 1.00 H new ATOM 0 HG2 GLN A 183 8.606 7.875 5.355 1.00 1.00 H new ATOM 0 HG3 GLN A 183 7.051 7.360 4.733 1.00 1.00 H new ATOM 0 HE21 GLN A 183 9.192 5.675 5.572 1.00 0.81 H new ATOM 0 HE22 GLN A 183 9.657 4.707 4.169 1.00 0.81 H new ATOM 2574 N GLY A 184 5.513 10.820 2.670 1.00 1.16 N ATOM 2575 CA GLY A 184 4.991 11.645 1.601 1.00 1.28 C ATOM 2576 C GLY A 184 5.596 11.275 0.265 1.00 1.23 C ATOM 2577 O GLY A 184 5.544 12.055 -0.686 1.00 1.38 O ATOM 0 H GLY A 184 4.855 10.134 3.039 1.00 1.16 H new ATOM 0 HA2 GLY A 184 3.908 11.536 1.553 1.00 1.28 H new ATOM 0 HA3 GLY A 184 5.197 12.694 1.816 1.00 1.28 H new ATOM 2581 N VAL A 185 6.190 10.089 0.202 1.00 1.10 N ATOM 2582 CA VAL A 185 6.829 9.614 -1.014 1.00 1.08 C ATOM 2583 C VAL A 185 5.811 9.088 -2.023 1.00 1.02 C ATOM 2584 O VAL A 185 4.629 8.919 -1.708 1.00 1.15 O ATOM 2585 CB VAL A 185 7.845 8.505 -0.697 1.00 1.13 C ATOM 2586 CG1 VAL A 185 8.976 9.052 0.161 1.00 1.31 C ATOM 2587 CG2 VAL A 185 7.157 7.335 -0.005 1.00 1.14 C ATOM 0 H VAL A 185 6.241 9.437 0.985 1.00 1.10 H new ATOM 0 HA VAL A 185 7.343 10.468 -1.455 1.00 1.08 H new ATOM 0 HB VAL A 185 8.271 8.144 -1.633 1.00 1.13 H new ATOM 0 HG11 VAL A 185 9.687 8.255 0.377 1.00 1.31 H new ATOM 0 HG12 VAL A 185 9.483 9.855 -0.374 1.00 1.31 H new ATOM 0 HG13 VAL A 185 8.569 9.439 1.096 1.00 1.31 H new ATOM 0 HG21 VAL A 185 7.890 6.559 0.212 1.00 1.14 H new ATOM 0 HG22 VAL A 185 6.705 7.678 0.926 1.00 1.14 H new ATOM 0 HG23 VAL A 185 6.383 6.931 -0.657 1.00 1.14 H new ATOM 2597 N GLU A 186 6.289 8.812 -3.227 1.00 0.93 N ATOM 2598 CA GLU A 186 5.450 8.309 -4.301 1.00 0.92 C ATOM 2599 C GLU A 186 5.863 6.881 -4.635 1.00 0.83 C ATOM 2600 O GLU A 186 6.545 6.223 -3.843 1.00 0.82 O ATOM 2601 CB GLU A 186 5.600 9.192 -5.542 1.00 1.02 C ATOM 2602 CG GLU A 186 5.177 10.637 -5.337 1.00 1.46 C ATOM 2603 CD GLU A 186 3.679 10.792 -5.200 1.00 2.45 C ATOM 2604 OE1 GLU A 186 2.958 10.645 -6.207 1.00 2.97 O ATOM 2605 OE2 GLU A 186 3.212 11.051 -4.074 1.00 3.02 O ATOM 0 H GLU A 186 7.269 8.931 -3.486 1.00 0.93 H new ATOM 0 HA GLU A 186 4.408 8.324 -3.981 1.00 0.92 H new ATOM 0 HB2 GLU A 186 6.641 9.173 -5.863 1.00 1.02 H new ATOM 0 HB3 GLU A 186 5.009 8.764 -6.352 1.00 1.02 H new ATOM 0 HG2 GLU A 186 5.662 11.030 -4.444 1.00 1.46 H new ATOM 0 HG3 GLU A 186 5.525 11.236 -6.179 1.00 1.46 H new ATOM 2612 N GLU A 187 5.440 6.394 -5.791 1.00 0.89 N ATOM 2613 CA GLU A 187 5.867 5.086 -6.263 1.00 0.91 C ATOM 2614 C GLU A 187 6.466 5.194 -7.667 1.00 0.91 C ATOM 2615 O GLU A 187 6.222 4.342 -8.518 1.00 1.14 O ATOM 2616 CB GLU A 187 4.706 4.075 -6.272 1.00 1.05 C ATOM 2617 CG GLU A 187 3.428 4.524 -5.572 1.00 1.11 C ATOM 2618 CD GLU A 187 2.596 5.464 -6.422 1.00 1.36 C ATOM 2619 OE1 GLU A 187 1.790 4.971 -7.239 1.00 1.72 O ATOM 2620 OE2 GLU A 187 2.748 6.694 -6.292 1.00 1.86 O ATOM 0 H GLU A 187 4.802 6.884 -6.419 1.00 0.89 H new ATOM 0 HA GLU A 187 6.626 4.724 -5.570 1.00 0.91 H new ATOM 0 HB2 GLU A 187 4.465 3.836 -7.308 1.00 1.05 H new ATOM 0 HB3 GLU A 187 5.049 3.152 -5.804 1.00 1.05 H new ATOM 0 HG2 GLU A 187 2.832 3.648 -5.316 1.00 1.11 H new ATOM 0 HG3 GLU A 187 3.686 5.019 -4.636 1.00 1.11 H new ATOM 2627 N HIS A 188 7.253 6.239 -7.912 1.00 0.92 N ATOM 2628 CA HIS A 188 7.868 6.416 -9.234 1.00 0.95 C ATOM 2629 C HIS A 188 9.301 6.954 -9.157 1.00 0.92 C ATOM 2630 O HIS A 188 9.945 7.160 -10.185 1.00 1.01 O ATOM 2631 CB HIS A 188 7.008 7.323 -10.127 1.00 1.04 C ATOM 2632 CG HIS A 188 6.723 8.686 -9.567 1.00 1.03 C ATOM 2633 ND1 HIS A 188 5.469 9.073 -9.154 1.00 1.09 N ATOM 2634 CD2 HIS A 188 7.520 9.767 -9.392 1.00 1.08 C ATOM 2635 CE1 HIS A 188 5.505 10.328 -8.757 1.00 1.14 C ATOM 2636 NE2 HIS A 188 6.736 10.774 -8.889 1.00 1.15 N ATOM 0 H HIS A 188 7.479 6.964 -7.232 1.00 0.92 H new ATOM 0 HA HIS A 188 7.921 5.423 -9.680 1.00 0.95 H new ATOM 0 HB2 HIS A 188 7.509 7.440 -11.088 1.00 1.04 H new ATOM 0 HB3 HIS A 188 6.060 6.822 -10.321 1.00 1.04 H new ATOM 0 HD2 HIS A 188 8.577 9.825 -9.608 1.00 1.08 H new ATOM 0 HE1 HIS A 188 4.665 10.896 -8.385 1.00 1.14 H new ATOM 0 HE2 HIS A 188 7.055 11.714 -8.656 1.00 1.15 H new ATOM 2645 N GLU A 189 9.791 7.183 -7.952 1.00 0.89 N ATOM 2646 CA GLU A 189 11.156 7.643 -7.747 1.00 0.92 C ATOM 2647 C GLU A 189 12.080 6.444 -7.556 1.00 0.78 C ATOM 2648 O GLU A 189 11.613 5.342 -7.264 1.00 0.74 O ATOM 2649 CB GLU A 189 11.229 8.562 -6.524 1.00 1.10 C ATOM 2650 CG GLU A 189 10.800 7.886 -5.230 1.00 1.37 C ATOM 2651 CD GLU A 189 9.316 8.008 -4.935 1.00 1.82 C ATOM 2652 OE1 GLU A 189 8.511 7.755 -5.856 1.00 2.34 O ATOM 2653 OE2 GLU A 189 8.949 8.386 -3.803 1.00 2.38 O ATOM 0 H GLU A 189 9.259 7.057 -7.091 1.00 0.89 H new ATOM 0 HA GLU A 189 11.475 8.206 -8.624 1.00 0.92 H new ATOM 0 HB2 GLU A 189 12.251 8.926 -6.413 1.00 1.10 H new ATOM 0 HB3 GLU A 189 10.597 9.433 -6.696 1.00 1.10 H new ATOM 0 HG2 GLU A 189 11.065 6.830 -5.278 1.00 1.37 H new ATOM 0 HG3 GLU A 189 11.362 8.318 -4.402 1.00 1.37 H new ATOM 2660 N THR A 190 13.379 6.641 -7.746 1.00 0.74 N ATOM 2661 CA THR A 190 14.321 5.544 -7.601 1.00 0.66 C ATOM 2662 C THR A 190 14.756 5.360 -6.150 1.00 0.57 C ATOM 2663 O THR A 190 15.309 6.267 -5.524 1.00 0.61 O ATOM 2664 CB THR A 190 15.560 5.744 -8.496 1.00 0.70 C ATOM 2665 OG1 THR A 190 15.149 5.945 -9.855 1.00 0.81 O ATOM 2666 CG2 THR A 190 16.484 4.537 -8.425 1.00 0.66 C ATOM 0 H THR A 190 13.797 7.537 -7.997 1.00 0.74 H new ATOM 0 HA THR A 190 13.800 4.641 -7.921 1.00 0.66 H new ATOM 0 HB THR A 190 16.101 6.620 -8.137 1.00 0.70 H new ATOM 0 HG1 THR A 190 15.939 6.073 -10.420 1.00 0.81 H new ATOM 0 HG21 THR A 190 17.350 4.704 -9.065 1.00 0.66 H new ATOM 0 HG22 THR A 190 16.815 4.392 -7.397 1.00 0.66 H new ATOM 0 HG23 THR A 190 15.949 3.649 -8.762 1.00 0.66 H new ATOM 2674 N LEU A 191 14.512 4.166 -5.634 1.00 0.48 N ATOM 2675 CA LEU A 191 14.899 3.824 -4.278 1.00 0.42 C ATOM 2676 C LEU A 191 16.063 2.851 -4.361 1.00 0.39 C ATOM 2677 O LEU A 191 16.074 1.971 -5.220 1.00 0.38 O ATOM 2678 CB LEU A 191 13.739 3.190 -3.485 1.00 0.41 C ATOM 2679 CG LEU A 191 12.396 3.946 -3.483 1.00 0.51 C ATOM 2680 CD1 LEU A 191 12.601 5.448 -3.563 1.00 1.01 C ATOM 2681 CD2 LEU A 191 11.494 3.469 -4.609 1.00 0.82 C ATOM 0 H LEU A 191 14.044 3.414 -6.139 1.00 0.48 H new ATOM 0 HA LEU A 191 15.181 4.734 -3.749 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.564 2.190 -3.882 1.00 0.41 H new ATOM 0 HB3 LEU A 191 14.062 3.070 -2.451 1.00 0.41 H new ATOM 0 HG LEU A 191 11.904 3.726 -2.536 1.00 0.51 H new ATOM 0 HD11 LEU A 191 11.633 5.948 -3.559 1.00 1.01 H new ATOM 0 HD12 LEU A 191 13.185 5.782 -2.705 1.00 1.01 H new ATOM 0 HD13 LEU A 191 13.133 5.694 -4.482 1.00 1.01 H new ATOM 0 HD21 LEU A 191 10.554 4.021 -4.581 1.00 0.82 H new ATOM 0 HD22 LEU A 191 11.986 3.639 -5.566 1.00 0.82 H new ATOM 0 HD23 LEU A 191 11.293 2.405 -4.488 1.00 0.82 H new ATOM 2693 N LEU A 192 17.054 2.999 -3.506 1.00 0.39 N ATOM 2694 CA LEU A 192 18.254 2.195 -3.629 1.00 0.41 C ATOM 2695 C LEU A 192 18.392 1.269 -2.433 1.00 0.40 C ATOM 2696 O LEU A 192 18.176 1.678 -1.289 1.00 0.44 O ATOM 2697 CB LEU A 192 19.478 3.106 -3.722 1.00 0.44 C ATOM 2698 CG LEU A 192 19.260 4.409 -4.497 1.00 0.49 C ATOM 2699 CD1 LEU A 192 20.439 5.338 -4.312 1.00 0.56 C ATOM 2700 CD2 LEU A 192 19.039 4.136 -5.974 1.00 0.50 C ATOM 0 H LEU A 192 17.055 3.659 -2.728 1.00 0.39 H new ATOM 0 HA LEU A 192 18.183 1.592 -4.534 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.806 3.352 -2.712 1.00 0.44 H new ATOM 0 HB3 LEU A 192 20.289 2.552 -4.194 1.00 0.44 H new ATOM 0 HG LEU A 192 18.365 4.889 -4.100 1.00 0.49 H new ATOM 0 HD11 LEU A 192 20.268 6.259 -4.869 1.00 0.56 H new ATOM 0 HD12 LEU A 192 20.556 5.571 -3.254 1.00 0.56 H new ATOM 0 HD13 LEU A 192 21.344 4.855 -4.680 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.887 5.079 -6.500 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.912 3.628 -6.385 1.00 0.50 H new ATOM 0 HD23 LEU A 192 18.159 3.505 -6.100 1.00 0.50 H new ATOM 2712 N LEU A 193 18.723 0.019 -2.697 1.00 0.43 N ATOM 2713 CA LEU A 193 19.001 -0.927 -1.637 1.00 0.50 C ATOM 2714 C LEU A 193 20.478 -0.834 -1.268 1.00 0.47 C ATOM 2715 O LEU A 193 21.348 -0.954 -2.130 1.00 0.49 O ATOM 2716 CB LEU A 193 18.623 -2.342 -2.100 1.00 0.68 C ATOM 2717 CG LEU A 193 18.672 -3.438 -1.033 1.00 0.44 C ATOM 2718 CD1 LEU A 193 17.678 -4.533 -1.371 1.00 1.09 C ATOM 2719 CD2 LEU A 193 20.063 -4.035 -0.929 1.00 1.03 C ATOM 0 H LEU A 193 18.806 -0.364 -3.639 1.00 0.43 H new ATOM 0 HA LEU A 193 18.408 -0.696 -0.752 1.00 0.50 H new ATOM 0 HB2 LEU A 193 17.614 -2.310 -2.512 1.00 0.68 H new ATOM 0 HB3 LEU A 193 19.290 -2.626 -2.914 1.00 0.68 H new ATOM 0 HG LEU A 193 18.414 -2.989 -0.074 1.00 0.44 H new ATOM 0 HD11 LEU A 193 17.719 -5.310 -0.607 1.00 1.09 H new ATOM 0 HD12 LEU A 193 16.673 -4.113 -1.409 1.00 1.09 H new ATOM 0 HD13 LEU A 193 17.927 -4.964 -2.340 1.00 1.09 H new ATOM 0 HD21 LEU A 193 20.070 -4.811 -0.164 1.00 1.03 H new ATOM 0 HD22 LEU A 193 20.345 -4.469 -1.888 1.00 1.03 H new ATOM 0 HD23 LEU A 193 20.775 -3.254 -0.660 1.00 1.03 H new ATOM 2731 N ARG A 194 20.756 -0.601 0.004 1.00 0.46 N ATOM 2732 CA ARG A 194 22.119 -0.376 0.462 1.00 0.46 C ATOM 2733 C ARG A 194 22.466 -1.328 1.587 1.00 0.44 C ATOM 2734 O ARG A 194 21.620 -1.641 2.425 1.00 0.49 O ATOM 2735 CB ARG A 194 22.293 1.060 0.955 1.00 0.53 C ATOM 2736 CG ARG A 194 22.233 2.111 -0.140 1.00 0.60 C ATOM 2737 CD ARG A 194 23.438 2.038 -1.059 1.00 0.65 C ATOM 2738 NE ARG A 194 24.702 2.149 -0.326 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.864 2.466 -0.892 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.925 2.722 -2.193 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.966 2.531 -0.153 1.00 1.06 N ATOM 0 H ARG A 194 20.053 -0.562 0.742 1.00 0.46 H new ATOM 0 HA ARG A 194 22.786 -0.552 -0.382 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.518 1.275 1.691 1.00 0.53 H new ATOM 0 HB3 ARG A 194 23.251 1.142 1.468 1.00 0.53 H new ATOM 0 HG2 ARG A 194 21.322 1.976 -0.724 1.00 0.60 H new ATOM 0 HG3 ARG A 194 22.179 3.102 0.310 1.00 0.60 H new ATOM 0 HD2 ARG A 194 23.419 1.095 -1.606 1.00 0.65 H new ATOM 0 HD3 ARG A 194 23.378 2.837 -1.798 1.00 0.65 H new ATOM 0 HE ARG A 194 24.691 1.973 0.679 1.00 0.69 H new ATOM 0 HH11 ARG A 194 25.080 2.676 -2.762 1.00 1.25 H new ATOM 0 HH12 ARG A 194 26.817 2.965 -2.624 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.921 2.338 0.848 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.857 2.774 -0.586 1.00 1.06 H new ATOM 2755 N ARG A 195 23.705 -1.776 1.610 1.00 0.45 N ATOM 2756 CA ARG A 195 24.163 -2.659 2.661 1.00 0.50 C ATOM 2757 C ARG A 195 24.508 -1.841 3.899 1.00 0.55 C ATOM 2758 O ARG A 195 25.264 -0.870 3.824 1.00 0.64 O ATOM 2759 CB ARG A 195 25.375 -3.463 2.191 1.00 0.59 C ATOM 2760 CG ARG A 195 25.616 -4.724 3.000 1.00 1.02 C ATOM 2761 CD ARG A 195 26.740 -5.552 2.407 1.00 1.07 C ATOM 2762 NE ARG A 195 26.761 -6.904 2.950 1.00 1.49 N ATOM 2763 CZ ARG A 195 27.554 -7.874 2.507 1.00 2.13 C ATOM 2764 NH1 ARG A 195 28.405 -7.647 1.514 1.00 2.34 N ATOM 2765 NH2 ARG A 195 27.476 -9.079 3.050 1.00 2.68 N ATOM 0 H ARG A 195 24.412 -1.543 0.913 1.00 0.45 H new ATOM 0 HA ARG A 195 23.368 -3.362 2.911 1.00 0.50 H new ATOM 0 HB2 ARG A 195 25.238 -3.733 1.144 1.00 0.59 H new ATOM 0 HB3 ARG A 195 26.262 -2.832 2.244 1.00 0.59 H new ATOM 0 HG2 ARG A 195 25.861 -4.458 4.028 1.00 1.02 H new ATOM 0 HG3 ARG A 195 24.702 -5.318 3.033 1.00 1.02 H new ATOM 0 HD2 ARG A 195 26.626 -5.597 1.324 1.00 1.07 H new ATOM 0 HD3 ARG A 195 27.695 -5.065 2.607 1.00 1.07 H new ATOM 0 HE ARG A 195 26.127 -7.120 3.719 1.00 1.49 H new ATOM 0 HH11 ARG A 195 28.454 -6.723 1.085 1.00 2.34 H new ATOM 0 HH12 ARG A 195 29.010 -8.397 1.180 1.00 2.34 H new ATOM 0 HH21 ARG A 195 26.811 -9.257 3.802 1.00 2.68 H new ATOM 0 HH22 ARG A 195 28.081 -9.829 2.716 1.00 2.68 H new ATOM 2779 N LYS A 196 23.930 -2.221 5.025 1.00 0.60 N ATOM 2780 CA LYS A 196 24.130 -1.501 6.270 1.00 0.69 C ATOM 2781 C LYS A 196 25.299 -2.091 7.042 1.00 0.76 C ATOM 2782 O LYS A 196 26.179 -1.370 7.508 1.00 0.88 O ATOM 2783 CB LYS A 196 22.862 -1.556 7.126 1.00 0.75 C ATOM 2784 CG LYS A 196 22.955 -0.743 8.408 1.00 0.88 C ATOM 2785 CD LYS A 196 21.677 -0.848 9.225 1.00 1.28 C ATOM 2786 CE LYS A 196 21.702 0.077 10.430 1.00 1.65 C ATOM 2787 NZ LYS A 196 21.796 1.508 10.032 1.00 2.15 N ATOM 0 H LYS A 196 23.314 -3.030 5.102 1.00 0.60 H new ATOM 0 HA LYS A 196 24.353 -0.461 6.033 1.00 0.69 H new ATOM 0 HB2 LYS A 196 22.020 -1.193 6.536 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.650 -2.595 7.379 1.00 0.75 H new ATOM 0 HG2 LYS A 196 23.799 -1.094 9.003 1.00 0.88 H new ATOM 0 HG3 LYS A 196 23.149 0.302 8.165 1.00 0.88 H new ATOM 0 HD2 LYS A 196 20.822 -0.602 8.596 1.00 1.28 H new ATOM 0 HD3 LYS A 196 21.542 -1.877 9.559 1.00 1.28 H new ATOM 0 HE2 LYS A 196 20.800 -0.076 11.023 1.00 1.65 H new ATOM 0 HE3 LYS A 196 22.549 -0.179 11.066 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 21.541 2.111 10.840 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 22.769 1.722 9.734 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 21.144 1.693 9.243 1.00 2.15 H new ATOM 2801 N PHE A 197 25.305 -3.408 7.170 1.00 0.77 N ATOM 2802 CA PHE A 197 26.351 -4.078 7.917 1.00 0.89 C ATOM 2803 C PHE A 197 27.351 -4.715 6.977 1.00 0.96 C ATOM 2804 O PHE A 197 26.987 -5.270 5.941 1.00 0.92 O ATOM 2805 CB PHE A 197 25.784 -5.153 8.839 1.00 0.95 C ATOM 2806 CG PHE A 197 24.690 -4.668 9.748 1.00 0.94 C ATOM 2807 CD1 PHE A 197 24.927 -3.628 10.630 1.00 1.14 C ATOM 2808 CD2 PHE A 197 23.433 -5.247 9.720 1.00 0.92 C ATOM 2809 CE1 PHE A 197 23.931 -3.172 11.470 1.00 1.19 C ATOM 2810 CE2 PHE A 197 22.431 -4.797 10.560 1.00 0.95 C ATOM 2811 CZ PHE A 197 22.656 -3.783 11.419 1.00 1.03 C ATOM 0 H PHE A 197 24.602 -4.028 6.769 1.00 0.77 H new ATOM 0 HA PHE A 197 26.845 -3.320 8.525 1.00 0.89 H new ATOM 0 HB2 PHE A 197 25.400 -5.972 8.231 1.00 0.95 H new ATOM 0 HB3 PHE A 197 26.593 -5.559 9.446 1.00 0.95 H new ATOM 0 HD1 PHE A 197 25.903 -3.167 10.661 1.00 1.14 H new ATOM 0 HD2 PHE A 197 23.233 -6.058 9.035 1.00 0.92 H new ATOM 0 HE1 PHE A 197 24.122 -2.360 12.156 1.00 1.19 H new ATOM 0 HE2 PHE A 197 21.457 -5.263 10.527 1.00 0.95 H new ATOM 0 HZ PHE A 197 21.864 -3.438 12.067 1.00 1.03 H new